We consider transfer learning approaches that fine-tune a pretrained deep neural network on a target task. We study the generalization properties of fine-tuning to understand the problem of overfitting, which commonly occurs in practice. Previous works have shown that constraining the distance from the initialization of fine-tuning improves generalization. Using a PAC-Bayesian analysis, we observe that besides distance from initialization, Hessians affect generalization through the noise stability of deep neural networks against noise injections. Motivated by the observation, we develop Hessian distance-based generalization bounds for a wide range of fine-tuning methods. Additionally, we study the robustness of fine-tuning in the presence of noisy labels. We design an algorithm incorporating consistent losses and distance-based regularization for fine-tuning, along with a generalization error guarantee under class conditional independent noise in the training set labels. We perform a detailed empirical study of our algorithm on various noisy environments and architectures. On six image classification tasks whose training labels are generated with programmatic labeling, we find a 3.26% accuracy gain over prior fine-tuning methods. Meanwhile, the Hessian distance measure of the fine-tuned model decreases by six times more than existing approaches.  ( 2 min )

Quantifying similarity between neural representations -- e.g. hidden layer activation vectors -- is a perennial problem in deep learning and neuroscience research. Existing methods compare deterministic responses (e.g. artificial networks that lack stochastic layers) or averaged responses (e.g., trial-averaged firing rates in biological data). However, these measures of _deterministic_ representational similarity ignore the scale and geometric structure of noise, both of which play important roles in neural computation. To rectify this, we generalize previously proposed shape metrics (Williams et al. 2021) to quantify differences in _stochastic_ representations. These new distances satisfy the triangle inequality, and thus can be used as a rigorous basis for many supervised and unsupervised analyses. Leveraging this novel framework, we find that the stochastic geometries of neurobiological representations of oriented visual gratings and naturalistic scenes respectively resemble untrained and trained deep network representations. Further, we are able to more accurately predict certain network attributes (e.g. training hyperparameters) from its position in stochastic (versus deterministic) shape space.  ( 2 min )

Distilling knowledge from a large teacher model to a lightweight one is a widely successful approach for generating compact, powerful models in the semi-supervised learning setting where a limited amount of labeled data is available. In large-scale applications, however, the teacher tends to provide a large number of incorrect soft-labels that impairs student performance. The sheer size of the teacher additionally constrains the number of soft-labels that can be queried due to prohibitive computational and/or financial costs. The difficulty in achieving simultaneous \emph{efficiency} (i.e., minimizing soft-label queries) and \emph{robustness} (i.e., avoiding student inaccuracies due to incorrect labels) hurts the widespread application of knowledge distillation to many modern tasks. In this paper, we present a parameter-free approach with provable guarantees to query the soft-labels of points that are simultaneously informative and correctly labeled by the teacher. At the core of our work lies a game-theoretic formulation that explicitly considers the inherent trade-off between the informativeness and correctness of input instances. We establish bounds on the expected performance of our approach that hold even in worst-case distillation instances. We present empirical evaluations on popular benchmarks that demonstrate the improved distillation performance enabled by our work relative to that of state-of-the-art active learning and active distillation methods.  ( 2 min )

Medical image segmentation is almost the most important pre-processing procedure in computer-aided diagnosis but is also a very challenging task due to the complex shapes of segments and various artifacts caused by medical imaging, (i.e., low-contrast tissues, and non-homogenous textures). In this paper, we propose a simple yet effective segmentation framework that incorporates the geometric prior and contrastive similarity into the weakly-supervised segmentation framework in a loss-based fashion. The proposed geometric prior built on point cloud provides meticulous geometry to the weakly-supervised segmentation proposal, which serves as better supervision than the inherent property of the bounding-box annotation (i.e., height and width). Furthermore, we propose contrastive similarity to encourage organ pixels to gather around in the contrastive embedding space, which helps better distinguish low-contrast tissues. The proposed contrastive embedding space can make up for the poor representation of the conventionally-used gray space. Extensive experiments are conducted to verify the effectiveness and the robustness of the proposed weakly-supervised segmentation framework. The proposed framework is superior to state-of-the-art weakly-supervised methods on the following publicly accessible datasets: LiTS 2017 Challenge, KiTS 2021 Challenge, and LPBA40. We also dissect our method and evaluate the performance of each component.  ( 2 min )

Knowledge tracing aims to model students' past answer sequences to track the change in their knowledge acquisition during exercise activities and to predict their future learning performance. Most existing approaches ignore the fact that students' abilities are constantly changing or vary between individuals, and lack the interpretability of model predictions. To this end, in this paper, we propose a novel model based on ability attributes and attention mechanism. We first segment the interaction sequences and captures students' ability attributes, then dynamically assign students to groups with similar abilities, and quantify the relevance of the exercises to the skill by calculating the attention weights between the exercises and the skill to enhance the interpretability of the model. We conducted extensive experiments and evaluate real online education datasets. The results confirm that the proposed model is better at predicting performance than five well-known representative knowledge tracing models, and the model prediction results are explained through an inference path.  ( 2 min )

Motivated by online decision-making in time-varying combinatorial environments, we study the problem of transforming offline algorithms to their online counterparts. We focus on offline combinatorial problems that are amenable to a constant factor approximation using a greedy algorithm that is robust to local errors. For such problems, we provide a general framework that efficiently transforms offline robust greedy algorithms to online ones using Blackwell approachability. We show that the resulting online algorithms have $O(\sqrt{T})$ (approximate) regret under the full information setting. We further introduce a bandit extension of Blackwell approachability that we call Bandit Blackwell approachability. We leverage this notion to transform greedy robust offline algorithms into a $O(T^{2/3})$ (approximate) regret in the bandit setting. Demonstrating the flexibility of our framework, we apply our offline-to-online transformation to several problems at the intersection of revenue management, market design, and online optimization, including product ranking optimization in online platforms, reserve price optimization in auctions, and submodular maximization. We also extend our reduction to greedy-like first order methods used in continuous optimization, such as those used for maximizing continuous strong DR monotone submodular functions subject to convex constraints. We show that our transformation, when applied to these applications, leads to new regret bounds or improves the current known bounds. We complement our theoretical studies by conducting numerical simulations for two of our applications, in both of which we observe that the numerical performance of our transformations outperforms the theoretical guarantees in practical instances.  ( 3 min )

Critical applications, such as in the medical field, require the rapid provision of additional information to interpret decisions made by deep learning methods. In this work, we propose a fast and accurate method to visualize activations of classification and semantic segmentation networks by stitching them with a GAN generator utilizing convolutions. We test our approach on images of animals from the AFHQ wild dataset and real-world digital pathology scans of stained tissue samples. Our method provides comparable results to established gradient descent methods on these datasets while running about two orders of magnitude faster.  ( 2 min )

Symmetry-based neural networks often constrain the architecture in order to achieve invariance or equivariance to a group of transformations. In this paper, we propose an alternative that avoids this architectural constraint by learning to produce a canonical representation of the data. These canonicalization functions can readily be plugged into non-equivariant backbone architectures. We offer explicit ways to implement them for many groups of interest. We show that this approach enjoys universality while providing interpretable insights. Our main hypothesis is that learning a neural network to perform canonicalization is better than using predefined heuristics. Our results show that learning the canonicalization function indeed leads to better results and that the approach achieves excellent performance in practice.  ( 2 min )

A plethora of recent research has proposed several automated methods based on machine learning (ML) and deep learning (DL) to detect cybersickness in Virtual reality (VR). However, these detection methods are perceived as computationally intensive and black-box methods. Thus, those techniques are neither trustworthy nor practical for deploying on standalone VR head-mounted displays (HMDs). This work presents an explainable artificial intelligence (XAI)-based framework VR-LENS for developing cybersickness detection ML models, explaining them, reducing their size, and deploying them in a Qualcomm Snapdragon 750G processor-based Samsung A52 device. Specifically, we first develop a novel super learning-based ensemble ML model for cybersickness detection. Next, we employ a post-hoc explanation method, such as SHapley Additive exPlanations (SHAP), Morris Sensitivity Analysis (MSA), Local Interpretable Model-Agnostic Explanations (LIME), and Partial Dependence Plot (PDP) to explain the expected results and identify the most dominant features. The super learner cybersickness model is then retrained using the identified dominant features. Our proposed method identified eye tracking, player position, and galvanic skin/heart rate response as the most dominant features for the integrated sensor, gameplay, and bio-physiological datasets. We also show that the proposed XAI-guided feature reduction significantly reduces the model training and inference time by 1.91X and 2.15X while maintaining baseline accuracy. For instance, using the integrated sensor dataset, our reduced super learner model outperforms the state-of-the-art works by classifying cybersickness into 4 classes (none, low, medium, and high) with an accuracy of 96% and regressing (FMS 1-10) with a Root Mean Square Error (RMSE) of 0.03.  ( 2 min )

We propose the predictive forward-forward (PFF) algorithm for conducting credit assignment in neural systems. Specifically, we design a novel, dynamic recurrent neural system that learns a directed generative circuit jointly and simultaneously with a representation circuit, integrating learnable lateral competition and elements of predictive coding, an emerging and viable neurobiological process theory of cortical function, with the forward-forward (FF) adaptation scheme. Furthermore, PFF efficiently learns to propagate learning signals and updates synapses with forward passes only, eliminating key structural and computational constraints imposed by a backpropagation-based scheme. Besides computational advantages, the PFF process could prove useful for understanding the learning mechanisms behind biological neurons that use local signals despite missing feedback connections. We run experiments on image data and demonstrate that the PFF procedure works as well as backpropagation of errors, offering a promising brain-inspired learning algorithm for classifying, reconstructing, and synthesizing data patterns.  ( 2 min )

We study online Reinforcement Learning (RL) in non-stationary input-driven environments, where a time-varying exogenous input process affects the environment dynamics. Online RL is challenging in such environments due to catastrophic forgetting (CF). The agent tends to forget prior knowledge as it trains on new experiences. Prior approaches to mitigate this issue assume task labels (which are often not available in practice) or use off-policy methods that can suffer from instability and poor performance. We present Locally Constrained Policy Optimization (LCPO), an on-policy RL approach that combats CF by anchoring policy outputs on old experiences while optimizing the return on current experiences. To perform this anchoring, LCPO locally constrains policy optimization using samples from experiences that lie outside of the current input distribution. We evaluate LCPO in two gym and computer systems environments with a variety of synthetic and real input traces, and find that it outperforms state-of-the-art on-policy and off-policy RL methods in the online setting, while achieving results on-par with an offline agent pre-trained on the whole input trace.  ( 2 min )

Executing code is essential for various program analysis tasks, e.g., to detect bugs that manifest through exceptions or to obtain execution traces for further dynamic analysis. However, executing an arbitrary piece of code is often difficult in practice, e.g., because of missing variable definitions, missing user inputs, and missing third-party dependencies. This paper presents LExecutor, a learning-guided approach for executing arbitrary code snippets in an underconstrained way. The key idea is to let a neural model predict missing values that otherwise would cause the program to get stuck, and to inject these values into the execution. For example, LExecutor injects likely values for otherwise undefined variables and likely return values of calls to otherwise missing functions. We evaluate the approach on Python code from popular open-source projects and on code snippets extracted from Stack Overflow. The neural model predicts realistic values with an accuracy between 80.1% and 94.2%, allowing LExecutor to closely mimic real executions. As a result, the approach successfully executes significantly more code than any available technique, such as simply executing the code as-is. For example, executing the open-source code snippets as-is covers only 4.1% of all lines, because the code crashes early on, whereas LExecutor achieves a coverage of 50.1%.  ( 2 min )

Bilevel optimization has been developed for many machine learning tasks with large-scale and high-dimensional data. This paper considers a constrained bilevel optimization problem, where the lower-level optimization problem is convex with equality and inequality constraints and the upper-level optimization problem is non-convex. The overall objective function is non-convex and non-differentiable. To solve the problem, we develop a gradient-based approach, called gradient approximation method, which determines the descent direction by computing several representative gradients of the objective function inside a neighborhood of the current estimate. We show that the algorithm asymptotically converges to the set of Clarke stationary points, and demonstrate the efficacy of the algorithm by the experiments on hyperparameter optimization and meta-learning.  ( 2 min )

Contrary to its original interpretation as a facilitator of knowledge transfer from one model to another, some recent studies have suggested that knowledge distillation (KD) is instead a form of regularization. Perhaps the strongest support of all for this claim is found in its apparent similarities with label smoothing (LS). This paper investigates the stated equivalence of these two methods by examining the predictive uncertainties of the models they train. Experiments on four text classification tasks involving teachers and students of different capacities show that: (a) In most settings, KD and LS drive model uncertainty (entropy) in completely opposite directions, and (b) In KD, the student's predictive uncertainty is a direct function of that of its teacher, reinforcing the knowledge transfer view.  ( 2 min )

Protein structure prediction helps to understand gene translation and protein function, which is of growing interest and importance in structural biology. The AlphaFold model, which used transformer architecture to achieve atomic-level accuracy in protein structure prediction, was a significant breakthrough. However, training and inference of the AlphaFold model are challenging due to its high computation and memory cost. In this work, we present FastFold, an efficient implementation of AlphaFold for both training and inference. We propose Dynamic Axial Parallelism and Duality Async Operations to improve the scaling efficiency of model parallelism. Besides, AutoChunk is proposed to reduce memory cost by over 80% during inference by automatically determining the chunk strategy. Experimental results show that FastFold reduces overall training time from 11 days to 67 hours and achieves 7.5X - 9.5X speedup for long-sequence inference. Furthermore, we scale FastFold to 512 GPUs and achieve an aggregate throughput of 6.02 PetaFLOP/s with 90.1% parallel efficiency.

We study the combinatorial assignment domain, which includes combinatorial auctions and course allocation. The main challenge in this domain is that the bundle space grows exponentially in the number of items. To address this, several papers have recently proposed machine learning-based preference elicitation algorithms that aim to elicit only the most important information from agents. However, the main shortcoming of this prior work is that it does not model a mechanism's uncertainty over values for not yet elicited bundles. In this paper, we address this shortcoming by presenting a Bayesian optimization-based combinatorial assignment (BOCA) mechanism. Our key technical contribution is to integrate a method for capturing model uncertainty into an iterative combinatorial auction mechanism. Concretely, we design a new method for estimating an upper uncertainty bound that can be used to define an acquisition function to determine the next query to the agents. This enables the mechanism to properly explore (and not just exploit) the bundle space during its preference elicitation phase. We run computational experiments in several spectrum auction domains to evaluate BOCA's performance. Our results show that BOCA achieves higher allocative efficiency than state-of-the-art approaches.

This paper illustrates the technologies of user next intent prediction with a concept knowledge graph. The system has been deployed on the Web at Alipay, serving more than 100 million daily active users. To explicitly characterize user intent, we propose \textbf{AlipayKG}, which is an offline concept knowledge graph in the Life-Service domain modeling the historical behaviors of users, the rich content interacted by users and the relations between them. We further introduce a Transformer-based model which integrates expert rules from the knowledge graph to infer the online user's next intent. Experimental results demonstrate that the proposed system can effectively enhance the performance of the downstream tasks while retaining explainability.

Recently, Fourier transform has been widely introduced into deep neural networks to further advance the state-of-the-art regarding both accuracy and efficiency of time series analysis. The advantages of the Fourier transform for time series analysis, such as efficiency and global view, have been rapidly explored and exploited, exhibiting a promising deep learning paradigm for time series analysis. However, although increasing attention has been attracted and research is flourishing in this emerging area, there lacks a systematic review of the variety of existing studies in the area. To this end, in this paper, we provide a comprehensive review of studies on neural time series analysis with Fourier transform. We aim to systematically investigate and summarize the latest research progress. Accordingly, we propose a novel taxonomy to categorize existing neural time series analysis methods from four perspectives, including characteristics, usage paradigms, network design, and applications. We also share some new research directions in this vibrant area.  ( 2 min )

The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success in generating novel, functional protein backbones that have not been observed in nature. However, there exists no principled methodological framework for diffusion on SE(3), the space of orientation preserving rigid motions in R3, that operates on frames and confers the group invariance. We address these shortcomings by developing theoretical foundations of SE(3) invariant diffusion models on multiple frames followed by a novel framework, FrameDiff, for learning the SE(3) equivariant score over multiple frames. We apply FrameDiff on monomer backbone generation and find it can generate designable monomers up to 500 amino acids without relying on a pretrained protein structure prediction network that has been integral to previous methods. We find our samples are capable of generalizing beyond any known protein structure.

This work investigates the intersection of cross modal learning and semi supervised learning, where we aim to improve the supervised learning performance of the primary modality by borrowing missing information from an unlabeled modality. We investigate this problem from a Nadaraya Watson (NW) kernel regression perspective and show that this formulation implicitly leads to a kernelized cross attention module. To this end, we propose The Attention Patch (TAP), a simple neural network plugin that allows data level knowledge transfer from the unlabeled modality. We provide numerical simulations on three real world datasets to examine each aspect of TAP and show that a TAP integration in a neural network can improve generalization performance using the unlabeled modality.  ( 2 min )

The absolute majority of software today is developed collaboratively using collaborative version control tools such as Git. It is a common practice that once a vulnerability is detected and fixed, the developers behind the software issue a Common Vulnerabilities and Exposures or CVE record to alert the user community of the security hazard and urge them to integrate the security patch. However, some companies might not disclose their vulnerabilities and just update their repository. As a result, users are unaware of the vulnerability and may remain exposed. In this paper, we present a system to automatically identify security patches using only the developer behavior in the Git repository without analyzing the code itself or the remarks that accompanied the fix (commit message). We showed we can reveal concealed security patches with an accuracy of 88.3% and F1 Score of 89.8%. This is the first time that a language-oblivious solution for this problem is presented.  ( 2 min )

This study examines machine learning methods used in crisis management. Analyzing detected patterns from a crisis involves the collection and evaluation of historical or near-real-time datasets through automated means. This paper utilized the meta-review method to analyze scientific literature that utilized machine learning techniques to evaluate human actions during crises. Selected studies were condensed into themes and emerging trends using a systematic literature evaluation of published works accessed from three scholarly databases. Results show that data from social media was prominent in the evaluated articles with 27% usage, followed by disaster management, health (COVID) and crisis informatics, amongst many other themes. Additionally, the supervised machine learning method, with an application of 69% across the board, was predominant. The classification technique stood out among other machine learning tasks with 41% usage. The algorithms that played major roles were the Support Vector Machine, Neural Networks, Naive Bayes, and Random Forest, with 23%, 16%, 15%, and 12% contributions, respectively.

Recent advances in latent space dynamics model from pixels show promising progress in vision-based model predictive control (MPC). However, executing MPC in real time can be challenging due to its intensive computational cost in each timestep. We propose to introduce additional learning objectives to enforce that the learned latent space is proportional derivative controllable. In execution time, the simple PD-controller can be applied directly to the latent space encoded from pixels, to produce simple and effective control to systems with visual observations. We show that our method outperforms baseline methods to produce robust goal reaching and trajectory tracking in various environments.

Reinforcement Learning is a powerful tool to model decision-making processes. However, it relies on an exploration-exploitation trade-off that remains an open challenge for many tasks. In this work, we study neighboring state-based, model-free exploration led by the intuition that, for an early-stage agent, considering actions derived from a bounded region of nearby states may lead to better actions when exploring. We propose two algorithms that choose exploratory actions based on a survey of nearby states, and find that one of our methods, ${\rho}$-explore, consistently outperforms the Double DQN baseline in an discrete environment by 49\% in terms of Eval Reward Return.

Neural optimal transport techniques mostly use Euclidean cost functions, such as $\ell^1$ or $\ell^2$. These costs are suitable for translation tasks between related domains, but they are hardly applicable to problems where a specific non-Euclidean optimality of the mapping is required such as dataset transfer. To tackle this issue, we introduce a novel neural network-based algorithm to compute optimal transport plans and maps for general cost functionals. Such functionals provide more flexibility and allow using auxiliary information, such as class labels, to construct the required transport map. Our method is based on a saddle point reformulation of the optimal transport problem and generalizes prior methods for weak and strong transport cost functionals. As an application, we construct a functional to map data distributions with preserving the class-wise structure of data.

Recent success in Deep Reinforcement Learning (DRL) methods has shown that policy optimization with respect to an off-policy distribution via importance sampling is effective for sample reuse. In this paper, we show that the use of importance sampling could introduce high variance in the objective estimate. Specifically, we show in a principled way that the variance of importance sampling estimate grows quadratically with importance ratios and the large ratios could consequently jeopardize the effectiveness of surrogate objective optimization. We then propose a technique called sample dropout to bound the estimation variance by dropping out samples when their ratio deviation is too high. We instantiate this sample dropout technique on representative policy optimization algorithms, including TRPO, PPO, and ESPO, and demonstrate that it consistently boosts the performance of those DRL algorithms on both continuous and discrete action controls, including MuJoCo, DMControl and Atari video games. Our code is open-sourced at \url{https://github.com/LinZichuan/sdpo.git}.

Score-based models have recently been introduced as a richer framework to model distributions in high dimensions and are generally more suitable for generative tasks. In score-based models, a generative task is formulated using a parametric model (such as a neural network) to directly learn the gradient of such high dimensional distributions, instead of the density functions themselves, as is done traditionally. From the mathematical point of view, such gradient information can be utilized in reverse by stochastic sampling to generate diverse samples. However, from a computational perspective, existing score-based models can be efficiently trained only if the forward or the corruption process can be computed in closed form. By using the relationship between the process and layers in a feed-forward network, we derive a backpropagation-based procedure which we call Intermediate Generator Optimization to utilize intermediate iterates of the process with negligible computational overhead. The main advantage of IGO is that it can be incorporated into any standard autoencoder pipeline for the generative task. We analyze the sample complexity properties of IGO to solve downstream tasks like Generative PCA. We show applications of the IGO on two dense predictive tasks viz., image extrapolation, and point cloud denoising. Our experiments indicate that obtaining an ensemble of generators for various time points is possible using first-order methods.

Federated learning has received great attention for its capability to train a large-scale model in a decentralized manner without needing to access user data directly. It helps protect the users' private data from centralized collecting. Unlike distributed machine learning, federated learning aims to tackle non-IID data from heterogeneous sources in various real-world applications, such as those on smartphones. Existing federated learning approaches usually adopt a single global model to capture the shared knowledge of all users by aggregating their gradients, regardless of the discrepancy between their data distributions. However, due to the diverse nature of user behaviors, assigning users' gradients to different global models (i.e., centers) can better capture the heterogeneity of data distributions across users. Our paper proposes a novel multi-center aggregation mechanism for federated learning, which learns multiple global models from the non-IID user data and simultaneously derives the optimal matching between users and centers. We formulate the problem as a joint optimization that can be efficiently solved by a stochastic expectation maximization (EM) algorithm. Our experimental results on benchmark datasets show that our method outperforms several popular federated learning methods.

In this paper, we introduce a class of learning dynamics for general quantum games, that we call "follow the quantum regularized leader" (FTQL), in reference to the classical "follow the regularized leader" (FTRL) template for learning in finite games. We show that the induced quantum state dynamics decompose into (i) a classical, commutative component which governs the dynamics of the system's eigenvalues in a way analogous to the evolution of mixed strategies under FTRL; and (ii) a non-commutative component for the system's eigenvectors which has no classical counterpart. Despite the complications that this non-classical component entails, we find that the FTQL dynamics incur no more than constant regret in all quantum games. Moreover, adjusting classical notions of stability to account for the nonlinear geometry of the state space of quantum games, we show that only pure quantum equilibria can be stable and attracting under FTQL while, as a partial converse, pure equilibria that satisfy a certain "variational stability" condition are always attracting. Finally, we show that the FTQL dynamics are Poincar\'e recurrent in quantum min-max games, extending in this way a very recent result for the quantum replicator dynamics.

This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process that progressively edits graphs with noise, through the process of adding or removing edges and changing the categories. A graph transformer network is trained to revert this process, simplifying the problem of distribution learning over graphs into a sequence of node and edge classification tasks. We further improve sample quality by introducing a Markovian noise model that preserves the marginal distribution of node and edge types during diffusion, and by incorporating auxiliary graph-theoretic features. A procedure for conditioning the generation on graph-level features is also proposed. DiGress achieves state-of-the-art performance on molecular and non-molecular datasets, with up to 3x validity improvement on a planar graph dataset. It is also the first model to scale to the large GuacaMol dataset containing 1.3M drug-like molecules without the use of molecule-specific representations.

Missing data is common in applied data science, particularly for tabular data sets found in healthcare, social sciences, and natural sciences. Most supervised learning methods only work on complete data, thus requiring preprocessing such as missing value imputation to work on incomplete data sets. However, imputation alone does not encode useful information about the missing values themselves. For data sets with informative missing patterns, the Missing Indicator Method (MIM), which adds indicator variables to indicate the missing pattern, can be used in conjunction with imputation to improve model performance. While commonly used in data science, MIM is surprisingly understudied from an empirical and especially theoretical perspective. In this paper, we show empirically and theoretically that MIM improves performance for informative missing values, and we prove that MIM does not hurt linear models asymptotically for uninformative missing values. Additionally, we find that for high-dimensional data sets with many uninformative indicators, MIM can induce model overfitting and thus test performance. To address this issue, we introduce Selective MIM (SMIM), a novel MIM extension that adds missing indicators only for features that have informative missing patterns. We show empirically that SMIM performs at least as well as MIM in general, and improves MIM for high-dimensional data. Lastly, to demonstrate the utility of MIM on real-world data science tasks, we demonstrate the effectiveness of MIM and SMIM on clinical tasks generated from the MIMIC-III database of electronic health records.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires $O(\log n)$ samples to approach its asymptotic error while the corresponding multiclass logistic regression requires $O(n)$ samples, where $n$ is the feature dimension. To establish it, we present a multiclass $\mathcal{H}$-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the ``two regimes'' phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

Federated Learning (FL) recently emerges as a paradigm to train a global machine learning model across distributed clients without sharing raw data. Knowledge Graph (KG) embedding represents KGs in a continuous vector space, serving as the backbone of many knowledge-driven applications. As a promising combination, federated KG embedding can fully take advantage of knowledge learned from different clients while preserving the privacy of local data. However, realistic problems such as data heterogeneity and knowledge forgetting still remain to be concerned. In this paper, we propose FedLU, a novel FL framework for heterogeneous KG embedding learning and unlearning. To cope with the drift between local optimization and global convergence caused by data heterogeneity, we propose mutual knowledge distillation to transfer local knowledge to global, and absorb global knowledge back. Moreover, we present an unlearning method based on cognitive neuroscience, which combines retroactive interference and passive decay to erase specific knowledge from local clients and propagate to the global model by reusing knowledge distillation. We construct new datasets for assessing realistic performance of the state-of-the-arts. Extensive experiments show that FedLU achieves superior results in both link prediction and knowledge forgetting.

We consider the problem of identifying a minimal subset of training data $\mathcal{S}_t$ such that if the instances comprising $\mathcal{S}_t$ had been removed prior to training, the categorization of a given test point $x_t$ would have been different. Identifying such a set may be of interest for a few reasons. First, the cardinality of $\mathcal{S}_t$ provides a measure of robustness (if $|\mathcal{S}_t|$ is small for $x_t$, we might be less confident in the corresponding prediction), which we show is correlated with but complementary to predicted probabilities. Second, interrogation of $\mathcal{S}_t$ may provide a novel mechanism for contesting a particular model prediction: If one can make the case that the points in $\mathcal{S}_t$ are wrongly labeled or irrelevant, this may argue for overturning the associated prediction. Identifying $\mathcal{S}_t$ via brute-force is intractable. We propose comparatively fast approximation methods to find $\mathcal{S}_t$ based on influence functions, and find that -- for simple convex text classification models -- these approaches can often successfully identify relatively small sets of training examples which, if removed, would flip the prediction. To our knowledge, this is the first work in to investigate the problem of identifying a minimal training set necessary to flip a given prediction in the context of machine learning.

Reference signals overhead reduction has recently evolved as an effective solution for improving the system spectral efficiency. This paper introduces a new downlink data structure that is free from demodulation reference signals (DM-RS), and hence does not require any channel estimation at the receiver. The new proposed data transmission structure involves a simple repetition step of part of the user data across the different sub-bands. Exploiting the repetition structure at the user side, it is shown that reliable recovery is possible via canonical correlation analysis. This paper also proposes two effective mechanisms for boosting the CCA performance in OFDM systems; one for repetition pattern selection and another to deal with the severe frequency selectivity issues. The proposed approach exhibits favorable complexity-performance tradeoff, rendering it appealing for practical implementation. Numerical results, using a 3GPP link-level testbench, demonstrate the superiority of the proposed approach relative to the state-of-the-art methods.

The nuclear norm and Schatten-$p$ quasi-norm are popular rank proxies in low-rank matrix recovery. However, computing the nuclear norm or Schatten-$p$ quasi-norm of a tensor is hard in both theory and practice, hindering their application to low-rank tensor completion (LRTC) and tensor robust principal component analysis (TRPCA). In this paper, we propose a new class of tensor rank regularizers based on the Euclidean norms of the CP component vectors of a tensor and show that these regularizers are monotonic transformations of tensor Schatten-$p$ quasi-norm. This connection enables us to minimize the Schatten-$p$ quasi-norm in LRTC and TRPCA implicitly via the component vectors. The method scales to big tensors and provides an arbitrarily sharper rank proxy for low-rank tensor recovery compared to the nuclear norm. On the other hand, we study the generalization abilities of LRTC with the Schatten-$p$ quasi-norm regularizer and LRTC with the proposed regularizers. The theorems show that a relatively sharper regularizer leads to a tighter error bound, which is consistent with our numerical results. Particularly, we prove that for LRTC with Schatten-$p$ quasi-norm regularizer on $d$-order tensors, $p=1/d$ is always better than any $p>1/d$ in terms of the generalization ability. We also provide a recovery error bound to verify the usefulness of small $p$ in the Schatten-$p$ quasi-norm for TRPCA. Numerical results on synthetic data and real data demonstrate the effectiveness of the regularization methods and theorems.

Attention guidance is an approach to addressing dataset bias in deep learning, where the model relies on incorrect features to make decisions. Focusing on image classification tasks, we propose an efficient human-in-the-loop system to interactively direct the attention of classifiers to the regions specified by users, thereby reducing the influence of co-occurrence bias and improving the transferability and interpretability of a DNN. Previous approaches for attention guidance require the preparation of pixel-level annotations and are not designed as interactive systems. We present a new interactive method to allow users to annotate images with simple clicks, and study a novel active learning strategy to significantly reduce the number of annotations. We conducted both a numerical evaluation and a user study to evaluate the proposed system on multiple datasets. Compared to the existing non-active-learning approach which usually relies on huge amounts of polygon-based segmentation masks to fine-tune or train the DNNs, our system can save lots of labor and money and obtain a fine-tuned network that works better even when the dataset is biased. The experiment results indicate that the proposed system is efficient, reasonable, and reliable.

We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of $\tilde{O}(\sqrt{T})$ where $T$ is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than Bayesian optimization approaches in high dimensional cases, even if the model is misspecified.

Modelling, forecasting and overall understanding of the dynamics of the power grid and its frequency are essential for the safe operation of existing and future power grids. Much previous research was focused on large continental areas, while small systems, such as islands are less well-studied. These natural island systems are ideal testing environments for microgrid proposals and artificially islanded grid operation. In the present paper, we utilize measurements of the power grid frequency obtained in European islands: the Faroe Islands, Ireland, the Balearic Islands and Iceland and investigate how their frequency can be predicted, compared to the Nordic power system, acting as a reference. The Balearic islands are found to be particularly deterministic and easy to predict in contrast to hard-to-predict Iceland. Furthermore, we show that typically 2-4 weeks of data are needed to improve prediction performance beyond simple benchmarks.

A variety of control tasks such as inverse kinematics (IK), trajectory optimization (TO), and model predictive control (MPC) are commonly formulated as energy minimization problems. Numerical solutions to such problems are well-established. However, these are often too slow to be used directly in real-time applications. The alternative is to learn solution manifolds for control problems in an offline stage. Although this distillation process can be trivially formulated as a behavioral cloning (BC) problem in an imitation learning setting, our experiments highlight a number of significant shortcomings arising due to incompatible local minima, interpolation artifacts, and insufficient coverage of the state space. In this paper, we propose an alternative to BC that is efficient and numerically robust. We formulate the learning of solution manifolds as a minimization of the energy terms of a control objective integrated over the space of problems of interest. We minimize this energy integral with a novel method that combines Monte Carlo-inspired adaptive sampling strategies with the derivatives used to solve individual instances of the control task. We evaluate the performance of our formulation on a series of robotic control problems of increasing complexity, and we highlight its benefits through comparisons against traditional methods such as behavioral cloning and Dataset aggregation (Dagger).

Graph classification is crucial in network analyses. Networks face potential security threats, such as adversarial attacks. Some defense methods may trade off the algorithm complexity for robustness, such as adversarial training, whereas others may trade off clean example performance, such as smoothingbased defense. Most suffer from high complexity or low transferability. To address this problem, we proposed EGC2, an enhanced graph classification model with easy graph compression. EGC2 captures the relationship between the features of different nodes by constructing feature graphs and improving the aggregation of the node-level representations. To achieve lower-complexity defense applied to graph classification models, EGC2 utilizes a centrality-based edge-importance index to compress the graphs, filtering out trivial structures and adversarial perturbations in the input graphs, thus improving the model's robustness. Experiments on ten benchmark datasets demonstrate that the proposed feature read-out and graph compression mechanisms enhance the robustness of multiple basic models, resulting in a state-of-the-art performance in terms of accuracy and robustness against various adversarial attacks.

Using the notion of conservative gradient, we provide a simple model to estimate the computational costs of the backward and forward modes of algorithmic differentiation for a wide class of nonsmooth programs. The overhead complexity of the backward mode turns out to be independent of the dimension when using programs with locally Lipschitz semi-algebraic or definable elementary functions. This considerably extends Baur-Strassen's smooth cheap gradient principle. We illustrate our results by establishing fast backpropagation results of conservative gradients through feedforward neural networks with standard activation and loss functions. Nonsmooth backpropagation's cheapness contrasts with concurrent forward approaches, which have, to this day, dimensional-dependent worst-case overhead estimates. We provide further results suggesting the superiority of backward propagation of conservative gradients. Indeed, we relate the complexity of computing a large number of directional derivatives to that of matrix multiplication, and we show that finding two subgradients in the Clarke subdifferential of a function is an NP-hard problem.

The goal of this work is to identify the best optimizers for deep learning in the context of cardiac image segmentation and to provide guidance on how to design segmentation networks with effective optimization strategies. Adaptive learning helps with fast convergence by starting with a larger learning rate (LR) and gradually decreasing it. Momentum optimizers are particularly effective at quickly optimizing neural networks within the accelerated schemes category. By revealing the potential interplay between these two types of algorithms (LR and momentum optimizers or momentum rate (MR) in short), in this article, we explore the two variants of SGD algorithms in a single setting. We suggest using cyclic learning as the base optimizer and integrating optimal values of learning rate and momentum rate. We investigated the relationship of LR and MR under an important problem of medical image segmentation of cardiac structures from MRI and CT scans. We conducted experiments using the cardiac imaging dataset from the ACDC challenge of MICCAI 2017, and four different architectures shown to be successful for cardiac image segmentation problems. Our comprehensive evaluations demonstrated that the proposed optimizer achieved better results (over a 2\% improvement in the dice metric) than other optimizers in deep learning literature with similar or lower computational cost in both single and multi-object segmentation settings. We hypothesized that combination of accelerated and adaptive optimization methods can have a drastic effect in medical image segmentation performances. To this end, we proposed a new cyclic optimization method (\textit{CLMR}) to address the efficiency and accuracy problems in deep learning based medical image segmentation. The proposed strategy yielded better generalization in comparison to adaptive optimizers.

There has been much recent progress in forecasting the next observation of a linear dynamical system (LDS), which is known as the improper learning, as well as in the estimation of its system matrices, which is known as the proper learning of LDS. We present an approach to proper learning of LDS, which in spite of the non-convexity of the problem, guarantees global convergence of numerical solutions to a least-squares estimator. We present promising computational results.

In offline model-based optimisation (MBO) we are interested in using machine learning to design candidates that maximise some measure of desirability through an expensive but real-world scoring process. Offline MBO tries to approximate this expensive scoring function and use that to evaluate generated designs, however evaluation is non-exact because one approximation is being evaluated with another. Instead, we ask ourselves: if we did have the real world scoring function at hand, what cheap-to-compute validation metrics would correlate best with this? Since the real-world scoring function is available for simulated MBO datasets, insights obtained from this can be transferred over to real-world offline MBO tasks where the real-world scoring function is expensive to compute. To address this, we propose a conceptual evaluation framework that is amenable to measuring extrapolation, and apply this to conditional denoising diffusion models. Empirically, we find that two validation metrics -- agreement and Frechet distance -- correlate quite well with the ground truth. When there is high variability in conditional generation, feedback is required in the form of an approximated version of the real-world scoring function. Furthermore, we find that generating high-scoring samples may require heavily weighting the generative model in favour of sample quality, potentially at the cost of sample diversity.

In nearest-neighbor classification, a training set $P$ of points in $\mathbb{R}^d$ with given classification is used to classify every point in $\mathbb{R}^d$: Every point gets the same classification as its nearest neighbor in $P$. Recently, Eppstein [SOSA'22] developed an algorithm to detect the relevant training points, those points $p\in P$, such that $P$ and $P\setminus\{p\}$ induce different classifications. We investigate the problem of finding the minimum cardinality reduced training set $P'\subseteq P$ such that $P$ and $P'$ induce the same classification. We show that the set of relevant points is such a minimum cardinality reduced training set if $P$ is in general position. Furthermore, we show that finding a minimum cardinality reduced training set for possibly degenerate $P$ is in P for $d=1$, and NP-complete for $d\geq 2$.

Federated learning typically considers collaboratively training a global model using local data at edge clients. Clients may have their own individual requirements, such as having a minimal training loss threshold, which they expect to be met by the global model. However, due to client heterogeneity, the global model may not meet each client's requirements, and only a small subset may find the global model appealing. In this work, we explore the problem of the global model lacking appeal to the clients due to not being able to satisfy local requirements. We propose MaxFL, which aims to maximize the number of clients that find the global model appealing. We show that having a high global model appeal is important to maintain an adequate pool of clients for training, and can directly improve the test accuracy on both seen and unseen clients. We provide convergence guarantees for MaxFL and show that MaxFL achieves a $22$-$40\%$ and $18$-$50\%$ test accuracy improvement for the training clients and unseen clients respectively, compared to a wide range of FL modeling approaches, including those that tackle data heterogeneity, aim to incentivize clients, and learn personalized or fair models.

Developing simple, sample-efficient learning algorithms for robust classification is a pressing issue in today's tech-dominated world, and current theoretical techniques requiring exponential sample complexity and complicated improper learning rules fall far from answering the need. In this work we study the fundamental paradigm of (robust) $\textit{empirical risk minimization}$ (RERM), a simple process in which the learner outputs any hypothesis minimizing its training error. RERM famously fails to robustly learn VC classes (Montasser et al., 2019a), a bound we show extends even to `nice' settings such as (bounded) halfspaces. As such, we study a recent relaxation of the robust model called $\textit{tolerant}$ robust learning (Ashtiani et al., 2022) where the output classifier is compared to the best achievable error over slightly larger perturbation sets. We show that under geometric niceness conditions, a natural tolerant variant of RERM is indeed sufficient for $\gamma$-tolerant robust learning VC classes over $\mathbb{R}^d$, and requires only $\tilde{O}\left( \frac{VC(H)d\log \frac{D}{\gamma\delta}}{\epsilon^2}\right)$ samples for robustness regions of (maximum) diameter $D$.

Model fairness is an essential element for Trustworthy AI. While many techniques for model fairness have been proposed, most of them assume that the training and deployment data distributions are identical, which is often not true in practice. In particular, when the bias between labels and sensitive groups changes, the fairness of the trained model is directly influenced and can worsen. We make two contributions for solving this problem. First, we analytically show that existing in-processing fair algorithms have fundamental limits in accuracy and group fairness. We introduce the notion of correlation shifts, which can explicitly capture the change of the above bias. Second, we propose a novel pre-processing step that samples the input data to reduce correlation shifts and thus enables the in-processing approaches to overcome their limitations. We formulate an optimization problem for adjusting the data ratio among labels and sensitive groups to reflect the shifted correlation. A key benefit of our approach lies in decoupling the roles of pre- and in-processing approaches: correlation adjustment via pre-processing and unfairness mitigation on the processed data via in-processing. Experiments show that our framework effectively improves existing in-processing fair algorithms w.r.t. accuracy and fairness, both on synthetic and real datasets.

In anomaly detection, the degree of irregularity is often summarized as a real-valued anomaly score. We address the problem of attributing such anomaly scores to input features for interpreting the results of anomaly detection. We particularly investigate the use of the Shapley value for attributing anomaly scores of semi-supervised detection methods. We propose a characteristic function specifically designed for attributing anomaly scores. The idea is to approximate the absence of some features by locally minimizing the anomaly score with regard to the to-be-absent features. We examine the applicability of the proposed characteristic function and other general approaches for interpreting anomaly scores on multiple datasets and multiple anomaly detection methods. The results indicate the potential utility of the attribution methods including the proposed one.

Sliced Wasserstein (SW) distance has been widely used in different application scenarios since it can be scaled to a large number of supports without suffering from the curse of dimensionality. The value of sliced Wasserstein distance is the average of transportation cost between one-dimensional representations (projections) of original measures that are obtained by Radon Transform (RT). Despite its efficiency in the number of supports, estimating the sliced Wasserstein requires a relatively large number of projections in high-dimensional settings. Therefore, for applications where the number of supports is relatively small compared with the dimension, e.g., several deep learning applications where the mini-batch approaches are utilized, the complexities from matrix multiplication of Radon Transform become the main computational bottleneck. To address this issue, we propose to derive projections by linearly and randomly combining a smaller number of projections which are named bottleneck projections. We explain the usage of these projections by introducing Hierarchical Radon Transform (HRT) which is constructed by applying Radon Transform variants recursively. We then formulate the approach into a new metric between measures, named Hierarchical Sliced Wasserstein (HSW) distance. By proving the injectivity of HRT, we derive the metricity of HSW. Moreover, we investigate the theoretical properties of HSW including its connection to SW variants and its computational and sample complexities. Finally, we compare the computational cost and generative quality of HSW with the conventional SW on the task of deep generative modeling using various benchmark datasets including CIFAR10, CelebA, and Tiny ImageNet.

The ability to align points across two related yet incomparable point clouds (e.g. living in different spaces) plays an important role in machine learning. The Gromov-Wasserstein (GW) framework provides an increasingly popular answer to such problems, by seeking a low-distortion, geometry-preserving assignment between these points. As a non-convex, quadratic generalization of optimal transport (OT), GW is NP-hard. While practitioners often resort to solving GW approximately as a nested sequence of entropy-regularized OT problems, the cubic complexity (in the number $n$ of samples) of that approach is a roadblock. We show in this work how a recent variant of the OT problem that restricts the set of admissible couplings to those having a low-rank factorization is remarkably well suited to the resolution of GW: when applied to GW, we show that this approach is not only able to compute a stationary point of the GW problem in time $O(n^2)$, but also uniquely positioned to benefit from the knowledge that the initial cost matrices are low-rank, to yield a linear time $O(n)$ GW approximation. Our approach yields similar results, yet orders of magnitude faster computation than the SoTA entropic GW approaches, on both simulated and real data.

In this work, we study the problem of partitioning a set of graphs into different groups such that the graphs in the same group are similar while the graphs in different groups are dissimilar. This problem was rarely studied previously, although there have been a lot of work on node clustering and graph classification. The problem is challenging because it is difficult to measure the similarity or distance between graphs. One feasible approach is using graph kernels to compute a similarity matrix for the graphs and then performing spectral clustering, but the effectiveness of existing graph kernels in measuring the similarity between graphs is very limited. To solve the problem, we propose a novel method called Deep Graph-Level Clustering (DGLC). DGLC utilizes a graph isomorphism network to learn graph-level representations by maximizing the mutual information between the representations of entire graphs and substructures, under the regularization of a clustering module that ensures discriminative representations via pseudo labels. DGLC achieves graph-level representation learning and graph-level clustering in an end-to-end manner. The experimental results on six benchmark datasets of graphs show that our DGLC has state-of-the-art performance in comparison to many baselines.

Generalized correlation analysis (GCA) is concerned with uncovering linear relationships across multiple datasets. It generalizes canonical correlation analysis that is designed for two datasets. We study sparse GCA when there are potentially multiple generalized correlation tuples in data and the loading matrix has a small number of nonzero rows. It includes sparse CCA and sparse PCA of correlation matrices as special cases. We first formulate sparse GCA as generalized eigenvalue problems at both population and sample levels via a careful choice of normalization constraints. Based on a Lagrangian form of the sample optimization problem, we propose a thresholded gradient descent algorithm for estimating GCA loading vectors and matrices in high dimensions. We derive tight estimation error bounds for estimators generated by the algorithm with proper initialization. We also demonstrate the prowess of the algorithm on a number of synthetic datasets.

Most existing causal structure learning methods assume data collected from one environment and independent and identically distributed (i.i.d.). In some cases, data are collected from different subjects from multiple environments, which provides more information but might make the data non-identical or non-independent distribution. Some previous efforts try to learn causal structure from this type of data in two independent stages, i.e., first discovering i.i.d. groups from non-i.i.d. samples, then learning the causal structures from different groups. This straightforward solution ignores the intrinsic connections between the two stages, that is both the clustering stage and the learning stage should be guided by the same causal mechanism. Towards this end, we propose a unified Causal Cluster Structures Learning (named CCSL) method for causal discovery from non-i.i.d. data. This method simultaneously integrates the following two tasks: 1) clustering samples of the subjects with the same causal mechanism into different groups; 2) learning causal structures from the samples within the group. Specifically, for the former, we provide a Causality-related Chinese Restaurant Process to cluster samples based on the similarity of the causal structure; for the latter, we introduce a variational-inference-based approach to learn the causal structures. Theoretical results provide identification of the causal model and the clustering model under the linear non-Gaussian assumption. Experimental results on both simulated and real-world data further validate the correctness and effectiveness of the proposed method.

Today's computer vision models achieve human or near-human level performance across a wide variety of vision tasks. However, their architectures, data, and learning algorithms differ in numerous ways from those that give rise to human vision. In this paper, we investigate the factors that affect the alignment between the representations learned by neural networks and human mental representations inferred from behavioral responses. We find that model scale and architecture have essentially no effect on the alignment with human behavioral responses, whereas the training dataset and objective function both have a much larger impact. These findings are consistent across three datasets of human similarity judgments collected using two different tasks. Linear transformations of neural network representations learned from behavioral responses from one dataset substantially improve alignment with human similarity judgments on the other two datasets. In addition, we find that some human concepts such as food and animals are well-represented by neural networks whereas others such as royal or sports-related objects are not. Overall, although models trained on larger, more diverse datasets achieve better alignment with humans than models trained on ImageNet alone, our results indicate that scaling alone is unlikely to be sufficient to train neural networks with conceptual representations that match those used by humans.

Fixed-budget best-arm identification (BAI) is a bandit problem where the agent maximizes the probability of identifying the optimal arm within a fixed budget of observations. In this work, we study this problem in the Bayesian setting. We propose a Bayesian elimination algorithm and derive an upper bound on its probability of misidentifying the optimal arm. The bound reflects the quality of the prior and is the first distribution-dependent bound in this setting. We prove it using a frequentist-like argument, where we carry the prior through, and then integrate out the bandit instance at the end. We also provide the first lower bound on the probability of misidentification in a $2$-armed Bayesian bandit and show that our upper bound (almost) matches the lower bound. Our experiments show that Bayesian elimination is superior to frequentist methods and competitive with the state-of-the-art Bayesian algorithms that have no guarantees in our setting.

We introduce equi-tuning, a novel fine-tuning method that transforms (potentially non-equivariant) pretrained models into group equivariant models while incurring minimum $L_2$ loss between the feature representations of the pretrained and the equivariant models. Large pretrained models can be equi-tuned for different groups to satisfy the needs of various downstream tasks. Equi-tuned models benefit from both group equivariance as an inductive bias and semantic priors from pretrained models. We provide applications of equi-tuning on three different tasks: image classification, compositional generalization in language, and fairness in natural language generation (NLG). We also provide a novel group-theoretic definition for fairness in NLG. The effectiveness of this definition is shown by testing it against a standard empirical method of fairness in NLG. We provide experimental results for equi-tuning using a variety of pretrained models: Alexnet, Resnet, VGG, and Densenet for image classification; RNNs, GRUs, and LSTMs for compositional generalization; and GPT2 for fairness in NLG. We test these models on benchmark datasets across all considered tasks to show the generality and effectiveness of the proposed method.

There is an inescapable long-tailed class-imbalance issue in many real-world classification problems. Existing long-tailed classification methods focus on the single-domain setting, where all examples are drawn from the same distribution. However, real-world scenarios often involve multiple domains with distinct imbalanced class distributions. We study this multi-domain long-tailed learning problem and aim to produce a model that generalizes well across all classes and domains. Towards that goal, we introduce TALLY, which produces invariant predictors by balanced augmenting hidden representations over domains and classes. Built upon a proposed selective balanced sampling strategy, TALLY achieves this by mixing the semantic representation of one example with the domain-associated nuisances of another, producing a new representation for use as data augmentation. To improve the disentanglement of semantic representations, TALLY further utilizes a domain-invariant class prototype that averages out domain-specific effects. We evaluate TALLY on four long-tailed variants of classical domain generalization benchmarks and two real-world imbalanced multi-domain datasets. The results indicate that TALLY consistently outperforms other state-of-the-art methods in both subpopulation shift and domain shift.

We propose global context vision transformer (GC ViT), a novel architecture that enhances parameter and compute utilization for computer vision tasks. The core of the novel model are global context self-attention modules, joint with standard local self-attention, to effectively yet efficiently model both long and short-range spatial interactions, as an alternative to complex operations such as an attention masks or local windows shifting. While the local self-attention modules are responsible for modeling short-range information, the global query tokens are shared across all global self-attention modules to interact with local key and values. In addition, we address the lack of inductive bias in ViTs and improve the modeling of inter-channel dependencies by proposing a novel downsampler which leverages a parameter-efficient fused inverted residual block. The proposed GC ViT achieves new state-of-the-art performance across image classification, object detection and semantic segmentation tasks. On ImageNet-1K dataset for classification, GC ViT models with 51M, 90M and 201M parameters achieve 84.3%, 84.9% and 85.6% Top-1 accuracy, respectively, surpassing comparably-sized prior art such as CNN-based ConvNeXt and ViT-based Swin Transformer. Pre-trained GC ViT backbones in downstream tasks of object detection, instance segmentation, and semantic segmentation on MS COCO and ADE20K datasets outperform prior work consistently, sometimes by large margins.

Data science research into fake news has gathered much momentum in recent years, arguably facilitated by the emergence of large public benchmark datasets. While it has been well-established within media studies that gender bias is an issue that pervades news media, there has been very little exploration into the relationship between gender bias and fake news. In this work, we provide the first empirical analysis of gender bias vis-a-vis fake news, leveraging simple and transparent lexicon-based methods over public benchmark datasets. Our analysis establishes the increased prevalance of gender bias in fake news across three facets viz., abundance, affect and proximal words. The insights from our analysis provide a strong argument that gender bias needs to be an important consideration in research into fake news.

The kernel Maximum Mean Discrepancy~(MMD) is a popular multivariate distance metric between distributions that has found utility in two-sample testing. The usual kernel-MMD test statistic is a degenerate U-statistic under the null, and thus it has an intractable limiting distribution. Hence, to design a level-$\alpha$ test, one usually selects the rejection threshold as the $(1-\alpha)$-quantile of the permutation distribution. The resulting nonparametric test has finite-sample validity but suffers from large computational cost, since every permutation takes quadratic time. We propose the cross-MMD, a new quadratic-time MMD test statistic based on sample-splitting and studentization. We prove that under mild assumptions, the cross-MMD has a limiting standard Gaussian distribution under the null. Importantly, we also show that the resulting test is consistent against any fixed alternative, and when using the Gaussian kernel, it has minimax rate-optimal power against local alternatives. For large sample sizes, our new cross-MMD provides a significant speedup over the MMD, for only a slight loss in power.

Methods based on ordinary differential equations (ODEs) are widely used to build generative models of time-series. In addition to high computational overhead due to explicitly computing hidden states recurrence, existing ODE-based models fall short in learning sequence data with sharp transitions - common in many real-world systems - due to numerical challenges during optimization. In this work, we propose LS4, a generative model for sequences with latent variables evolving according to a state space ODE to increase modeling capacity. Inspired by recent deep state space models (S4), we achieve speedups by leveraging a convolutional representation of LS4 which bypasses the explicit evaluation of hidden states. We show that LS4 significantly outperforms previous continuous-time generative models in terms of marginal distribution, classification, and prediction scores on real-world datasets in the Monash Forecasting Repository, and is capable of modeling highly stochastic data with sharp temporal transitions. LS4 sets state-of-the-art for continuous-time latent generative models, with significant improvement of mean squared error and tighter variational lower bounds on irregularly-sampled datasets, while also being x100 faster than other baselines on long sequences.

Recently, test-time adaptation (TTA) has been proposed as a promising solution for addressing distribution shifts. It allows a base model to adapt to an unforeseen distribution during inference by leveraging the information from the batch of (unlabeled) test data. However, we uncover a novel security vulnerability of TTA based on the insight that predictions on benign samples can be impacted by malicious samples in the same batch. To exploit this vulnerability, we propose Distribution Invading Attack (DIA), which injects a small fraction of malicious data into the test batch. DIA causes models using TTA to misclassify benign and unperturbed test data, providing an entirely new capability for adversaries that is infeasible in canonical machine learning pipelines. Through comprehensive evaluations, we demonstrate the high effectiveness of our attack on multiple benchmarks across six TTA methods. In response, we investigate two countermeasures to robustify the existing insecure TTA implementations, following the principle of "security by design". Together, we hope our findings can make the community aware of the utility-security tradeoffs in deploying TTA and provide valuable insights for developing robust TTA approaches.

Generative graph self-supervised learning (SSL) aims to learn node representations by reconstructing the input graph data. However, most existing methods focus on unsupervised learning tasks only and very few work has shown its superiority over the state-of-the-art graph contrastive learning (GCL) models, especially on the classification task. While a very recent model has been proposed to bridge the gap, its performance on unsupervised learning tasks is still unknown. In this paper, to comprehensively enhance the performance of generative graph SSL against other GCL models on both unsupervised and supervised learning tasks, we propose the SeeGera model, which is based on the family of self-supervised variational graph auto-encoder (VGAE). Specifically, SeeGera adopts the semi-implicit variational inference framework, a hierarchical variational framework, and mainly focuses on feature reconstruction and structure/feature masking. On the one hand, SeeGera co-embeds both nodes and features in the encoder and reconstructs both links and features in the decoder. Since feature embeddings contain rich semantic information on features, they can be combined with node embeddings to provide fine-grained knowledge for feature reconstruction. On the other hand, SeeGera adds an additional layer for structure/feature masking to the hierarchical variational framework, which boosts the model generalizability. We conduct extensive experiments comparing SeeGera with 9 other state-of-the-art competitors. Our results show that SeeGera can compare favorably against other state-of-the-art GCL methods in a variety of unsupervised and supervised learning tasks.

Prior work has successfully incorporated optimization layers as the last layer in neural networks for various problems, thereby allowing joint learning and planning in one neural network forward pass. In this work, we identify a weakness in such a set-up where inputs to the optimization layer lead to undefined output of the neural network. Such undefined decision outputs can lead to possible catastrophic outcomes in critical real time applications. We show that an adversary can cause such failures by forcing rank deficiency on the matrix fed to the optimization layer which results in the optimization failing to produce a solution. We provide a defense for the failure cases by controlling the condition number of the input matrix. We study the problem in the settings of synthetic data, Jigsaw Sudoku, and in speed planning for autonomous driving, building on top of prior frameworks in end-to-end learning and optimization. We show that our proposed defense effectively prevents the framework from failing with undefined output. Finally, we surface a number of edge cases which lead to serious bugs in popular equation and optimization solvers which can be abused as well.

Graph representation learning models have been deployed for making decisions in multiple high-stakes scenarios. It is therefore critical to ensure that these models are fair. Prior research has shown that graph neural networks can inherit and reinforce the bias present in graph data. Researchers have begun to examine ways to mitigate the bias in such models. However, existing efforts are restricted by their inefficiency, limited applicability, and the constraints they place on sensitive attributes. To address these issues, we present FairMILE a general framework for fair and scalable graph representation learning. FairMILE is a multi-level framework that allows contemporary unsupervised graph embedding methods to scale to large graphs in an agnostic manner. FairMILE learns both fair and high-quality node embeddings where the fairness constraints are incorporated in each phase of the framework. Our experiments across two distinct tasks demonstrate that FairMILE can learn node representations that often achieve superior fairness scores and high downstream performance while significantly outperforming all the baselines in terms of efficiency.

Performance benchmarking is a crucial component of time series classification (TSC) algorithm design, and a fast-growing number of datasets have been established for empirical benchmarking. However, the empirical benchmarks are costly and do not guarantee statistical optimality. This study proposes to benchmark the optimality of TSC algorithms in distinguishing diffusion processes by the likelihood ratio test (LRT). The LRT is optimal in the sense of the Neyman-Pearson lemma: it has the smallest false positive rate among classifiers with a controlled level of false negative rate. The LRT requires the likelihood ratio of the time series to be computable. The diffusion processes from stochastic differential equations provide such time series and are flexible in design for generating linear or nonlinear time series. We demonstrate the benchmarking with three scalable state-of-the-art TSC algorithms: random forest, ResNet, and ROCKET. Test results show that they can achieve LRT optimality for univariate time series and multivariate Gaussian processes. However, these model-agnostic algorithms are suboptimal in classifying nonlinear multivariate time series from high-dimensional stochastic interacting particle systems. Additionally, the LRT benchmark provides tools to analyze the dependence of classification accuracy on the time length, dimension, temporal sampling frequency, and randomness of the time series. Thus, the LRT with diffusion processes can systematically and efficiently benchmark the optimality of TSC algorithms and may guide their future improvements.

While deep learning has unlocked advances in computational biology once thought to be decades away, extending deep learning techniques to the molecular domain has proven challenging, as labeled data is scarce and the benefit from self-supervised learning can be negligible in many cases. In this work, we explore a different approach. Inspired by methods in deep reinforcement learning and robotics, we explore harnessing physics-based molecular simulation to develop molecular embeddings. By fitting a Graph Neural Network to simulation data, molecules that display similar interactions with biological targets under simulation develop similar representations in the embedding space. These embeddings can then be used to initialize the feature space of down-stream models trained on real-world data to encode information learned during simulation into a molecular prediction task. Our experimental findings indicate this approach improves the performance of existing deep learning models on real-world molecular prediction tasks by as much as 38% with minimal modification to the downstream model and no hyperparameter tuning.

We present a novel neural-networks-based algorithm to compute optimal transport maps and plans for strong and weak transport costs. To justify the usage of neural networks, we prove that they are universal approximators of transport plans between probability distributions. We evaluate the performance of our optimal transport algorithm on toy examples and on the unpaired image-to-image translation.

In reinforcement learning (RL), experience replay-based sampling techniques play a crucial role in promoting convergence by eliminating spurious correlations. However, widely used methods such as uniform experience replay (UER) and prioritized experience replay (PER) have been shown to have sub-optimal convergence and high seed sensitivity respectively. To address these issues, we propose a novel approach called IntrospectiveExperience Replay (IER) that selectively samples batches of data points prior to surprising events. Our method builds upon the theoretically sound reverse experience replay (RER) technique, which has been shown to reduce bias in the output of Q-learning-type algorithms with linear function approximation. However, this approach is not always practical or reliable when using neural function approximation. Through empirical evaluations, we demonstrate that IER with neural function approximation yields reliable and superior performance compared toUER, PER, and hindsight experience replay (HER) across most tasks.

A reconstruction attack on a private dataset $D$ takes as input some publicly accessible information about the dataset and produces a list of candidate elements of $D$. We introduce a new class of data reconstruction attacks based on randomized methods for non-convex optimization. We empirically demonstrate that our attacks can not only reconstruct full rows of $D$ from aggregate query statistics $Q(D)\in \mathbb{R}^m$, but can do so in a way that reliably ranks reconstructed rows by their odds of appearing in the private data, providing a signature that could be used for prioritizing reconstructed rows for further actions such as identify theft or hate crime. We also design a sequence of baselines for evaluating reconstruction attacks. Our attacks significantly outperform those that are based only on access to a public distribution or population from which the private dataset $D$ was sampled, demonstrating that they are exploiting information in the aggregate statistics $Q(D)$, and not simply the overall structure of the distribution. In other words, the queries $Q(D)$ are permitting reconstruction of elements of this dataset, not the distribution from which $D$ was drawn. These findings are established both on 2010 U.S. decennial Census data and queries and Census-derived American Community Survey datasets. Taken together, our methods and experiments illustrate the risks in releasing numerically precise aggregate statistics of a large dataset, and provide further motivation for the careful application of provably private techniques such as differential privacy.

Behavioral cloning (BC) provides a straightforward solution to offline RL by mimicking offline trajectories via supervised learning. Recent advances (Chen et al., 2021; Janner et al., 2021; Emmons et al., 2021) have shown that by conditioning on desired future returns, BC can perform competitively to their value-based counterparts, while enjoying much more simplicity and training stability. While promising, we show that these methods can be unreliable, as their performance may degrade significantly when conditioned on high, out-of-distribution (ood) returns. This is crucial in practice, as we often expect the policy to perform better than the offline dataset by conditioning on an ood value. We show that this unreliability arises from both the suboptimality of training data and model architectures. We propose ConserWeightive Behavioral Cloning (CWBC), a simple and effective method for improving the reliability of conditional BC with two key components: trajectory weighting and conservative regularization. Trajectory weighting upweights the high-return trajectories to reduce the train-test gap for BC methods, while conservative regularizer encourages the policy to stay close to the data distribution for ood conditioning. We study CWBC in the context of RvS (Emmons et al., 2021) and Decision Transformers (Chen et al., 2021), and show that CWBC significantly boosts their performance on various benchmarks.

The well-designed structures in neural networks reflect the prior knowledge incorporated into the models. However, though different models have various priors, we are used to training them with model-agnostic optimizers such as SGD. In this paper, we propose to incorporate model-specific prior knowledge into optimizers by modifying the gradients according to a set of model-specific hyper-parameters. Such a methodology is referred to as Gradient Re-parameterization, and the optimizers are named RepOptimizers. For the extreme simplicity of model structure, we focus on a VGG-style plain model and showcase that such a simple model trained with a RepOptimizer, which is referred to as RepOpt-VGG, performs on par with or better than the recent well-designed models. From a practical perspective, RepOpt-VGG is a favorable base model because of its simple structure, high inference speed and training efficiency. Compared to Structural Re-parameterization, which adds priors into models via constructing extra training-time structures, RepOptimizers require no extra forward/backward computations and solve the problem of quantization. We hope to spark further research beyond the realms of model structure design. Code and models \url{https://github.com/DingXiaoH/RepOptimizers}.

Coarse-grained (CG) molecular simulations have become a standard tool to study molecular processes on time- and length-scales inaccessible to all-atom simulations. Parameterizing CG force fields to match all-atom simulations has mainly relied on force-matching or relative entropy minimization, which require many samples from costly simulations with all-atom or CG resolutions, respectively. Here we present flow-matching, a new training method for CG force fields that combines the advantages of both methods by leveraging normalizing flows, a generative deep learning method. Flow-matching first trains a normalizing flow to represent the CG probability density, which is equivalent to minimizing the relative entropy without requiring iterative CG simulations. Subsequently, the flow generates samples and forces according to the learned distribution in order to train the desired CG free energy model via force matching. Even without requiring forces from the all-atom simulations, flow-matching outperforms classical force-matching by an order of magnitude in terms of data efficiency, and produces CG models that can capture the folding and unfolding transitions of small proteins.

Identifying abnormal patterns in electroencephalography (EEG) remains the cornerstone of diagnosing several neurological diseases. The current clinical EEG review process relies heavily on expert visual review, which is unscalable and error-prone. In an effort to augment the expert review process, there is a significant interest in mining population-level EEG patterns using unsupervised approaches. Current approaches rely either on two-dimensional decompositions (e.g., principal and independent component analyses) or deep representation learning (e.g., auto-encoders, self-supervision). However, most approaches do not leverage the natural multi-dimensional structure of EEGs and lack interpretability. In this study, we propose a tensor decomposition approach using the canonical polyadic decomposition to discover a parsimonious set of population-level EEG patterns, retaining the natural multi-dimensional structure of EEGs (time x space x frequency). We then validate their clinical value using a cohort of patients including varying stages of cognitive impairment. Our results show that the discovered patterns reflect physiologically meaningful features and accurately classify the stages of cognitive impairment (healthy vs mild cognitive impairment vs Alzheimer's dementia) with substantially fewer features compared to classical and deep learning-based baselines. We conclude that the decomposition of population-level EEG tensors recovers expert-interpretable EEG patterns that can aid in the study of smaller specialized clinical cohorts.

Differentially private stochastic gradient descent (DP-SGD) is the workhorse algorithm for recent advances in private deep learning. It provides a single privacy guarantee to all datapoints in the dataset. We propose output-specific $(\varepsilon,\delta)$-DP to characterize privacy guarantees for individual examples when releasing models trained by DP-SGD. We also design an efficient algorithm to investigate individual privacy across a number of datasets. We find that most examples enjoy stronger privacy guarantees than the worst-case bound. We further discover that the training loss and the privacy parameter of an example are well-correlated. This implies groups that are underserved in terms of model utility simultaneously experience weaker privacy guarantees. For example, on CIFAR-10, the average $\varepsilon$ of the class with the lowest test accuracy is 44.2% higher than that of the class with the highest accuracy.

Neural differential equations predict the derivative of a stochastic process. This allows irregular forecasting with arbitrary time-steps. However, the expressive temporal flexibility often comes with a high sensitivity to noise. In addition, current methods model measurements and control together, limiting generalization to different control policies. These properties severely limit applicability to medical treatment problems, which require reliable forecasting given high noise, limited data and changing treatment policies. We introduce the Neural Eigen-SDE algorithm (NESDE), which relies on piecewise linear dynamics modeling with spectral representation. NESDE provides control over the expressiveness level; decoupling of control from measurements; and closed-form continuous prediction in inference. NESDE is demonstrated to provide robust forecasting in both synthetic and real high-noise medical problems. Finally, we use the learned dynamics models to publish simulated medical gym environments.

Non-fungible tokens (NFTs) are digital assets stored on a blockchain representing real-world objects such as art or collectibles. An NFT collection comprises numerous tokens; each token can be transacted multiple times. It is a multibillion-dollar market where the number of collections has more than doubled in 2022. In this paper, we want to obtain a generative model that, given the early transactions history (first quarter Q1) of a newly minted collection, generates subsequent transactions (quarters Q2, Q3, Q4), where the generative model is trained using the transaction history of a few mature collections. The goal is to use the generated transactions to project the potential market value of this newly minted collection over the next few quarters. A technical challenge exists in that different collections have diverse characteristics, and the generative model should generate based on the appropriate "contexts" of the collection. Our method takes a two-step approach. First, it employs unsupervised learning on the early transactions to extract characteristics (which we call contexts) of NFT collections. Next, it generates future transactions of each token based on these contexts and the early transactions, projecting the target collection's potential market value. Comprehensive experiments demonstrate our contextual generative approach's NFT projection capabilities.

The universal approximation property (UAP) of neural networks is fundamental for deep learning, and it is well known that wide neural networks are universal approximators of continuous functions within both the $L^p$ norm and the continuous/uniform norm. However, the exact minimum width, $w_{\min}$, for the UAP has not been studied thoroughly. Recently, using a decoder-memorizer-encoder scheme, \citet{Park2021Minimum} found that $w_{\min} = \max(d_x+1,d_y)$ for both the $L^p$-UAP of ReLU networks and the $C$-UAP of ReLU+STEP networks, where $d_x,d_y$ are the input and output dimensions, respectively. In this paper, we consider neural networks with an arbitrary set of activation functions. We prove that both $C$-UAP and $L^p$-UAP for functions on compact domains share a universal lower bound of the minimal width; that is, $w^*_{\min} = \max(d_x,d_y)$. In particular, the critical width, $w^*_{\min}$, for $L^p$-UAP can be achieved by leaky-ReLU networks, provided that the input or output dimension is larger than one. Our construction is based on the approximation power of neural ordinary differential equations and the ability to approximate flow maps by neural networks. The nonmonotone or discontinuous activation functions case and the one-dimensional case are also discussed.

Offline reinforcement learning (offline RL) is an emerging field that has recently begun gaining attention across various application domains due to its ability to learn strategies from earlier collected datasets. Offline RL proved very successful, paving a path to solving previously intractable real-world problems, and we aim to generalize this paradigm to a multiplayer-game setting. To this end, we introduce a problem of offline equilibrium finding (OEF) and construct multiple types of datasets across a wide range of games using several established methods. To solve the OEF problem, we design a model-based framework that can directly apply any online equilibrium finding algorithm to the OEF setting while making minimal changes. The three most prominent contemporary online equilibrium finding algorithms are adapted to the context of OEF, creating three model-based variants: OEF-PSRO and OEF-CFR, which generalize the widely-used algorithms PSRO and Deep CFR to compute Nash equilibria (NEs), and OEF-JPSRO, which generalizes the JPSRO to calculate (Coarse) Correlated equilibria ((C)CEs). We also combine the behavior cloning policy with the model-based policy to further improve the performance and provide a theoretical guarantee of the solution quality. Extensive experimental results demonstrate the superiority of our approach over offline RL algorithms and the importance of using model-based methods for OEF problems. We hope our work will contribute to advancing research in large-scale equilibrium finding.

Post-training quantization (PTQ) attracts increasing attention due to its convenience in deploying quantized neural networks. Rounding is the primary source of quantization error, for which previous works adopt the rounding-to-nearest scheme with a constant border of 0.5. This work demonstrates that optimizing rounding schemes can improve model accuracy. By replacing the constant border with a simple border function, we can obtain the minimal error for multiplying two numbers and eliminate the bias of its expected value, which further benefits model accuracy. Based on this insight, we approximate the border function to make the incurred overhead negligible. We also jointly optimize propagated errors and global errors. We finally propose our AQuant framework, which can learn the border function automatically. Extensive experiments show that AQuant achieves noticeable improvements compared with state-of-the-art works and pushes the accuracy of ResNet-18 up to 60.31% under the 2-bit weight and activation post-training quantization.

Large language models such as GPT-3 (Brown et al., 2020) can perform arbitrary tasks without undergoing fine-tuning after being prompted with only a few labeled examples. An arbitrary task can be reformulated as a natural language prompt, and a language model can be asked to generate the completion, indirectly performing the task in a paradigm known as prompt-based learning. To date, emergent prompt-based learning capabilities have mainly been demonstrated for unidirectional language models. However, bidirectional language models pre-trained on denoising objectives such as masked language modeling produce stronger learned representations for transfer learning. This motivates the possibility of prompting bidirectional models, but their pre-training objectives have made them largely incompatible with the existing prompting paradigm. We present SAP (Sequential Autoregressive Prompting), a technique that enables the prompting of bidirectional models. Utilizing the machine translation task as a case study, we prompt the bidirectional mT5 model (Xue et al., 2021) with SAP and demonstrate its few-shot and zero-shot translations outperform the few-shot translations of unidirectional models like GPT-3 and XGLM (Lin et al., 2021), despite mT5's approximately 50% fewer parameters. We further show SAP is effective on question answering and summarization. For the first time, our results demonstrate prompt-based learning is an emergent property of a broader class of language models, rather than only unidirectional models.

Bayesian learning via Stochastic Gradient Langevin Dynamics (SGLD) has been suggested for differentially private learning. While previous research provides differential privacy bounds for SGLD at the initial steps of the algorithm or when close to convergence, the question of what differential privacy guarantees can be made in between remains unanswered. This interim region is of great importance, especially for Bayesian neural networks, as it is hard to guarantee convergence to the posterior. This paper shows that using SGLD might result in unbounded privacy loss for this interim region, even when sampling from the posterior is as differentially private as desired.

We lay the foundations of a non-parametric theory of best-arm identification in multi-armed bandits with a fixed budget T. We consider general, possibly non-parametric, models D for distributions over the arms; an overarching example is the model D = P(0,1) of all probability distributions over [0,1]. We propose upper bounds on the average log-probability of misidentifying the optimal arm based on information-theoretic quantities that correspond to infima over Kullback-Leibler divergences between some distributions in D and a given distribution. This is made possible by a refined analysis of the successive-rejects strategy of Audibert, Bubeck, and Munos (2010). We finally provide lower bounds on the same average log-probability, also in terms of the same new information-theoretic quantities; these lower bounds are larger when the (natural) assumptions on the considered strategies are stronger. All these new upper and lower bounds generalize existing bounds based, e.g., on gaps between distributions.

The integration of discrete algorithmic components in deep learning architectures has numerous applications. Recently, Implicit Maximum Likelihood Estimation (IMLE, Niepert, Minervini, and Franceschi 2021), a class of gradient estimators for discrete exponential family distributions, was proposed by combining implicit differentiation through perturbation with the path-wise gradient estimator. However, due to the finite difference approximation of the gradients, it is especially sensitive to the choice of the finite difference step size, which needs to be specified by the user. In this work, we present Adaptive IMLE (AIMLE), the first adaptive gradient estimator for complex discrete distributions: it adaptively identifies the target distribution for IMLE by trading off the density of gradient information with the degree of bias in the gradient estimates. We empirically evaluate our estimator on synthetic examples, as well as on Learning to Explain, Discrete Variational Auto-Encoders, and Neural Relational Inference tasks. In our experiments, we show that our adaptive gradient estimator can produce faithful estimates while requiring orders of magnitude fewer samples than other gradient estimators.

In data poisoning attacks, an adversary tries to change a model's prediction by adding, modifying, or removing samples in the training data. Recently, ensemble-based approaches for obtaining provable defenses against data poisoning have been proposed where predictions are done by taking a majority vote across multiple base models. In this work, we show that merely considering the majority vote in ensemble defenses is wasteful as it does not effectively utilize available information in the logits layers of the base models. Instead, we propose Run-Off Election (ROE), a novel aggregation method based on a two-round election across the base models: In the first round, models vote for their preferred class and then a second, Run-Off election is held between the top two classes in the first round. Based on this approach, we propose DPA+ROE and FA+ROE defense methods based on Deep Partition Aggregation (DPA) and Finite Aggregation (FA) approaches from prior work. We show how to obtain robustness for these methods using ideas inspired by dynamic programming and duality. We evaluate our methods on MNIST, CIFAR-10, and GTSRB and obtain improvements in certified accuracy by up to 4.73%, 3.63%, and 3.54%, respectively, establishing a new state-of-the-art in (pointwise) certified robustness against data poisoning. In many cases, our approach outperforms the state-of-the-art, even when using 32 times less computational power.

Using the message-passing mechanism in machine learning (ML) instead of self-consistent iterations to directly build the mapping from structures to electronic Hamiltonian matrices will greatly improve the efficiency of density functional theory (DFT) calculations. In this work, we proposed a general analytic Hamiltonian representation in an E(3) equivariant framework, which can fit the ab initio Hamiltonian of molecules and solids by a complete data-driven method and are equivariant under rotation, space inversion, and time reversal operations. Our model reached state-of-the-art precision in the benchmark test and accurately predicted the electronic Hamiltonian matrices and related properties of various periodic and aperiodic systems, showing high transferability and generalization ability. This framework provides a general transferable model that can be used to accelerate the electronic structure calculations on different large systems with the same network weights trained on small structures.

Signed networks allow us to model conflicting relationships and interactions, such as friend/enemy and support/oppose. These signed interactions happen in real-time. Modeling such dynamics of signed networks is crucial to understanding the evolution of polarization in the network and enabling effective prediction of the signed structure (i.e., link signs and signed weights) in the future. However, existing works have modeled either (static) signed networks or dynamic (unsigned) networks but not dynamic signed networks. Since both sign and dynamics inform the graph structure in different ways, it is non-trivial to model how to combine the two features. In this work, we propose a new Graph Neural Network (GNN)-based approach to model dynamic signed networks, named SEMBA: Signed link's Evolution using Memory modules and Balanced Aggregation. Here, the idea is to incorporate the signs of temporal interactions using separate modules guided by balance theory and to evolve the embeddings from a higher-order neighborhood. Experiments on 4 real-world datasets and 4 different tasks demonstrate that SEMBA consistently and significantly outperforms the baselines by up to $80\%$ on the tasks of predicting signs of future links while matching the state-of-the-art performance on predicting the existence of these links in the future. We find that this improvement is due specifically to the superior performance of SEMBA on the minority negative class.

The application of graph representation learning techniques to the area of financial risk management (FRM) has attracted significant attention recently. However, directly modeling transaction networks using graph neural models remains challenging: Firstly, transaction networks are directed multigraphs by nature, which could not be properly handled with most of the current off-the-shelf graph neural networks (GNN). Secondly, a crucial problem in FRM scenarios like anti-money laundering (AML) is to identify risky transactions and is most naturally cast into an edge classification problem with rich edge-level features, which are not fully exploited by the prevailing GNN design that follows node-centric message passing protocols. In this paper, we present a systematic investigation of design aspects of neural models over directed multigraphs and develop a novel GNN protocol that overcomes the above challenges via efficiently incorporating directional information, as well as proposing an enhancement that targets edge-related tasks using a novel message passing scheme over an extension of edge-to-node dual graph. A concrete GNN architecture called GRANDE is derived using the proposed protocol, with several further improvements and generalizations to temporal dynamic graphs. We apply the GRANDE model to both a real-world anti-money laundering task and public datasets. Experimental evaluations show the superiority of the proposed GRANDE architecture over recent state-of-the-art models on dynamic graph modeling and directed graph modeling.

Diffusion models show promising generation capability for a variety of data. Despite their high generation quality, the inference for diffusion models is still time-consuming due to the numerous sampling iterations required. To accelerate the inference, we propose ReDi, a simple yet learning-free Retrieval-based Diffusion sampling framework. From a precomputed knowledge base, ReDi retrieves a trajectory similar to the partially generated trajectory at an early stage of generation, skips a large portion of intermediate steps, and continues sampling from a later step in the retrieved trajectory. We theoretically prove that the generation performance of ReDi is guaranteed. Our experiments demonstrate that ReDi improves the model inference efficiency by 2x speedup. Furthermore, ReDi is able to generalize well in zero-shot cross-domain image generation such as image stylization.

Many problems in computer science reduce to the recovery of an $n$-sparse measure from its (generalized) moments. Sparse measure recovery has been the research focus in super-resolution, tensor decomposition, and learning neural networks. The existing methods use either convex relaxations or overparameterization for recovery. Here, we propose recovery with non-convex optimization without overparameterization. Our algorithm is a (sub)gradient descent method optimizing a non-convex energy function studied in physics. We establish the global convergence of gradient descent on the energy function. This result enables us to solve super-resolution in $O(n^2)$ time, which significantly improves upon $O(n^3)$ time for solving convex relaxations. For a particular neural network, we prove the global convergence of subgradient descent on the population loss without overparameterization. The studied network has zero-one activations, and inputs drawn from the unit sphere.

Text embeddings are commonly evaluated on a small set of datasets from a single task not covering their possible applications to other tasks. It is unclear whether state-of-the-art embeddings on semantic textual similarity (STS) can be equally well applied to other tasks like clustering or reranking. This makes progress in the field difficult to track, as various models are constantly being proposed without proper evaluation. To solve this problem, we introduce the Massive Text Embedding Benchmark (MTEB). MTEB spans 8 embedding tasks covering a total of 58 datasets and 112 languages. Through the benchmarking of 33 models on MTEB, we establish the most comprehensive benchmark of text embeddings to date. We find that no particular text embedding method dominates across all tasks. This suggests that the field has yet to converge on a universal text embedding method and scale it up sufficiently to provide state-of-the-art results on all embedding tasks. MTEB comes with open-source code and a public leaderboard at https://github.com/embeddings-benchmark/mteb.

Deep Learning (DL) is prevalently used in various industries to improve decision-making and automate processes, driven by the ever-evolving DL libraries and compilers. The correctness of DL systems is crucial for trust in DL applications. As such, the recent wave of research has been studying the automated synthesis of test-cases (i.e., DNN models and their inputs) for fuzzing DL systems. However, existing model generators only subsume a limited number of operators, for lacking the ability to pervasively model operator constraints. To address this challenge, we propose NeuRI, a fully automated approach for generating valid and diverse DL models composed of hundreds of types of operators. NeuRI adopts a three-step process: (i) collecting valid and invalid API traces from various sources; (ii) applying inductive program synthesis over the traces to infer the constraints for constructing valid models; and (iii) performing hybrid model generation by incorporating both symbolic and concrete operators concolically. Our evaluation shows that NeuRI improves branch coverage of TensorFlow and PyTorch by 51% and 15% over the state-of-the-art. Within four months, NeuRI finds 87 new bugs for PyTorch and TensorFlow, with 64 already fixed or confirmed, and 8 high-priority bugs labeled by PyTorch, constituting 10% of all high-priority bugs of the period. Additionally, open-source developers regard error-inducing models reported by us as "high-quality" and "common in practice".

We present Recurrence with Correlation Network (RWCNet), a medical image registration network with multi-scale features and a cost volume layer. We demonstrate that these architectural features improve medical image registration accuracy in two image registration datasets prepared for the MICCAI 2022 Learn2Reg Workshop Challenge. On the large-displacement National Lung Screening Test (NLST) dataset, RWCNet is able to achieve a total registration error (TRE) of 2.11mm between corresponding keypoints without instance fine-tuning. On the OASIS brain MRI dataset, RWCNet is able to achieve an average dice overlap of 81.7% for 35 different anatomical labels. It outperforms another multi-scale network, the Laplacian Image Registration Network (LapIRN), on both datasets. Ablation experiments are performed to highlight the contribution of the various architectural features. While multi-scale features improved validation accuracy for both datasets, the cost volume layer and number of recurrent steps only improved performance on the large-displacement NLST dataset. This result suggests that cost volume layer and iterative refinement using RNN provide good support for optimization and generalization in large-displacement medical image registration. The code for RWCNet is available at https://github.com/vigsivan/optimization-based-registration.

A new model called Clustering with Neural Network and Index (CNNI) is introduced. CNNI uses a Neural Network to cluster data points. Training of the Neural Network mimics supervised learning, with an internal clustering evaluation index acting as the loss function. An experiment is conducted to test the feasibility of the new model, and compared with results of other clustering models like K-means and Gaussian Mixture Model (GMM). The result shows CNNI can work properly for clustering data; CNNI equipped with MMJ-SC, achieves the first parametric (inductive) clustering model that can deal with non-convex shaped (non-flat geometry) data.

While machine learning has achieved remarkable results in a wide variety of domains, the training of models often requires large datasets that may need to be collected from different individuals. As sensitive information may be contained in the individual's dataset, sharing training data may lead to severe privacy concerns. Therefore, there is a compelling need to develop privacy-aware machine learning methods, for which one effective approach is to leverage the generic framework of differential privacy. Considering that stochastic gradient descent (SGD) is one of the most commonly adopted methods for large-scale machine learning problems, a decentralized differentially private SGD algorithm is proposed in this work. Particularly, we focus on SGD without replacement due to its favorable structure for practical implementation. Both privacy and convergence analysis are provided for the proposed algorithm. Finally, extensive experiments are performed to demonstrate the effectiveness of the proposed method.

Connected decision boundaries are useful in several tasks like image segmentation, clustering, alpha-shape or defining a region in nD-space. However, the machine learning literature lacks methods for generating connected decision boundaries using neural networks. Thresholding an invex function, a generalization of a convex function, generates such decision boundaries. This paper presents two methods for constructing invex functions using neural networks. The first approach is based on constraining a neural network with Gradient Clipped-Gradient Penality (GCGP), where we clip and penalise the gradients. In contrast, the second one is based on the relationship of the invex function to the composition of invertible and convex functions. We employ connectedness as a basic interpretation method and create connected region-based classifiers. We show that multiple connected set based classifiers can approximate any classification function. In the experiments section, we use our methods for classification tasks using an ensemble of 1-vs-all models as well as using a single multiclass model on larger-scale datasets. The experiments show that connected set-based classifiers do not pose any disadvantage over ordinary neural network classifiers, but rather, enhance their interpretability. We also did an extensive study on the properties of invex function and connected sets for interpretability and network morphism with experiments on simulated and real-world data sets. Our study suggests that invex function is fundamental to understanding and applying locality and connectedness of input space which is useful for various downstream tasks.

The predominant approach in reinforcement learning is to assign credit to actions based on the expected return. However, we show that the return may depend on the policy in a way which could lead to excessive variance in value estimation and slow down learning. Instead, we show that the advantage function can be interpreted as causal effects and shares similar properties with causal representations. Based on this insight, we propose Direct Advantage Estimation (DAE), a novel method that can model the advantage function and estimate it directly from on-policy data while simultaneously minimizing the variance of the return without requiring the (action-)value function. We also relate our method to Temporal Difference methods by showing how value functions can be seamlessly integrated into DAE. The proposed method is easy to implement and can be readily adapted by modern actor-critic methods. We evaluate DAE empirically on three discrete control domains and show that it can outperform generalized advantage estimation (GAE), a strong baseline for advantage estimation, on a majority of the environments when applied to policy optimization.

Prior work in semantic parsing has shown that conventional seq2seq models fail at compositional generalization tasks. This limitation led to a resurgence of methods that model alignments between sentences and their corresponding meaning representations, either implicitly through latent variables or explicitly by taking advantage of alignment annotations. We take the second direction and propose TPOL, a two-step approach that first translates input sentences monotonically and then reorders them to obtain the correct output. This is achieved with a modular framework comprising a Translator and a Reorderer component. We test our approach on two popular semantic parsing datasets. Our experiments show that by means of the monotonic translations, TPOL can learn reliable lexico-logical patterns from aligned data, significantly improving compositional generalization both over conventional seq2seq models, as well as over other approaches that exploit gold alignments.

Calcium imaging has become a powerful and popular technique to monitor the activity of large populations of neurons in vivo. However, for ethical considerations and despite recent technical developments, recordings are still constrained to a limited number of trials and animals. This limits the amount of data available from individual experiments and hinders the development of analysis techniques and models for more realistic sizes of neuronal populations. The ability to artificially synthesize realistic neuronal calcium signals could greatly alleviate this problem by scaling up the number of trials. Here, we propose a Generative Adversarial Network (GAN) model to generate realistic calcium signals as seen in neuronal somata with calcium imaging. To this end, we propose CalciumGAN, a model based on the WaveGAN architecture and train it on calcium fluorescent signals with the Wasserstein distance. We test the model on artificial data with known ground-truth and show that the distribution of the generated signals closely resembles the underlying data distribution. Then, we train the model on real calcium traces recorded from the primary visual cortex of behaving mice and confirm that the deconvolved spike trains match the statistics of the recorded data. Together, these results demonstrate that our model can successfully generate realistic calcium traces, thereby providing the means to augment existing datasets of neuronal activity for enhanced data exploration and modelling.

Advancements in reinforcement learning (RL) have been remarkable in recent years. However, the limitations of traditional training methods have become increasingly evident, particularly in meta-RL settings where agents face new, unseen tasks. Conventional training approaches are susceptible to failure in such situations as they need more robustness to adversity. Our proposed adversarial training regime for Multi-Task Reinforcement Learning (MT-RL) addresses the limitations of conventional training methods in RL, especially in meta-RL environments where the agent faces new tasks. The adversarial component challenges the agent, forcing it to improve its decision-making abilities in dynamic and unpredictable situations. This component operates without relying on manual intervention or domain-specific knowledge, making it a highly versatile solution. Experiments conducted in multiple MT-RL environments demonstrate that adversarial training leads to better exploration and a deeper understanding of the environment. The adversarial training regime for MT-RL presents a new perspective on training and development for RL agents and is a valuable contribution to the field.

In this work we propose a simple unsupervised approach for next frame prediction in video. Instead of directly predicting the pixels in a frame given past frames, we predict the transformations needed for generating the next frame in a sequence, given the transformations of the past frames. This leads to sharper results, while using a smaller prediction model. In order to enable a fair comparison between different video frame prediction models, we also propose a new evaluation protocol. We use generated frames as input to a classifier trained with ground truth sequences. This criterion guarantees that models scoring high are those producing sequences which preserve discriminative features, as opposed to merely penalizing any deviation, plausible or not, from the ground truth. Our proposed approach compares favourably against more sophisticated ones on the UCF-101 data set, while also being more efficient in terms of the number of parameters and computational cost.

Laplacian eigenvectors capture natural community structures on graphs and are widely used in spectral clustering and manifold learning. The use of Laplacian eigenvectors as embeddings for the purpose of multiscale graph comparison has however been limited. Here we propose the Embedded Laplacian Discrepancy (ELD) as a simple and fast approach to compare graphs (of potentially different sizes) based on the similarity of the graphs' community structures. The ELD operates by representing graphs as point clouds in a common, low-dimensional space, on which a natural Wasserstein-based distance can be efficiently computed. A main challenge in comparing graphs through any eigenvector-based approaches is the potential ambiguity that could arise due to sign-flips and basis symmetries. The ELD leverages a simple symmetrization trick to bypass any sign ambiguities. For comparing graphs that do not have any ambiguities due to basis symmetries (i.e. the spectrums are simple), we show that the ELD becomes a natural pseudo-metric that enjoys nice properties such as invariance under graph isomorphism. For comparing graphs with non-simple spectrums, we propose a procedure to approximate the ELD via a simple perturbation technique to resolve any ambiguity from basis symmetries. We show that such perturbations are stable using matrix perturbation theory under mild assumptions that are straightforward to verify in practice. We demonstrate the excellent applicability of the ELD approach on both simulated and real datasets.

In this paper, we investigate the problem of system identification for autonomous Markov jump linear systems (MJS) with complete state observations. We propose switched least squares method for identification of MJS, show that this method is strongly consistent, and derive data-dependent and data-independent rates of convergence. In particular, our data-independent rate of convergence shows that, almost surely, the system identification error is $\mathcal{O}\big(\sqrt{\log(T)/T} \big)$ where $T$ is the time horizon. These results show that switched least squares method for MJS has the same rate of convergence as least squares method for autonomous linear systems. We derive our results by imposing a general stability assumption on the model called stability in the average sense. We show that stability in the average sense is a weaker form of stability compared to the stability assumptions commonly imposed in the literature. We present numerical examples to illustrate the performance of the proposed method.

The effectiveness of machine learning models is significantly affected by the size of the dataset and the quality of features as redundant and irrelevant features can radically degrade the performance. This paper proposes IGRF-RFE: a hybrid feature selection method tasked for multi-class network anomalies using a Multilayer perceptron (MLP) network. IGRF-RFE can be considered as a feature reduction technique based on both the filter feature selection method and the wrapper feature selection method. In our proposed method, we use the filter feature selection method, which is the combination of Information Gain and Random Forest Importance, to reduce the feature subset search space. Then, we apply recursive feature elimination(RFE) as a wrapper feature selection method to further eliminate redundant features recursively on the reduced feature subsets. Our experimental results obtained based on the UNSW-NB15 dataset confirm that our proposed method can improve the accuracy of anomaly detection while reducing the feature dimension. The results show that the feature dimension is reduced from 42 to 23 while the multi-classification accuracy of MLP is improved from 82.25% to 84.24%.

Deep Reinforcement Learning (DRL) has achieved great success in solving complicated decision-making problems. Despite the successes, DRL is frequently criticized for many reasons, e.g., data inefficient, inflexible and intractable reward design. In this paper, we review two publications that investigate the mentioned issues of DRL and propose effective solutions. One designs the reward for human-robot collaboration by combining the manually designed extrinsic reward with a parameterized intrinsic reward function via the deterministic policy gradient, which improves the task performance and guarantees a stronger obstacle avoidance. The other one applies selective attention and particle filters to rapidly and flexibly attend to and select crucial pre-learned features for DRL using approximate inference instead of backpropagation, thereby improving the efficiency and flexibility of DRL. Potential avenues for future work in both domains are discussed in this paper.

Policy gradient algorithms have been widely applied to Markov decision processes and reinforcement learning problems in recent years. Regularization with various entropy functions is often used to encourage exploration and improve stability. This paper proposes an approximate Newton method for the policy gradient algorithm with entropy regularization. In the case of Shannon entropy, the resulting algorithm reproduces the natural policy gradient algorithm. For other entropy functions, this method results in brand-new policy gradient algorithms. We prove that all these algorithms enjoy Newton-type quadratic convergence and that the corresponding gradient flow converges globally to the optimal solution. Using synthetic and industrial-scale examples, we demonstrate that the proposed approximate Newton method typically converges in single-digit iterations, often orders of magnitude faster than other state-of-the-art algorithms.

EXplainable Artificial Intelligence (XAI) is a vibrant research topic in the artificial intelligence community, with growing interest across methods and domains. Much has been written about the subject, yet XAI still lacks shared terminology and a framework capable of providing structural soundness to explanations. In our work, we address these issues by proposing a novel definition of explanation that is a synthesis of what can be found in the literature. We recognize that explanations are not atomic but the combination of evidence stemming from the model and its input-output mapping, and the human interpretation of this evidence. Furthermore, we fit explanations into the properties of faithfulness (i.e., the explanation being a true description of the model's inner workings and decision-making process) and plausibility (i.e., how much the explanation looks convincing to the user). Using our proposed theoretical framework simplifies how these properties are operationalized and it provides new insight into common explanation methods that we analyze as case studies.

Traditional systems designed for task oriented dialog utilize knowledge present only in structured knowledge sources to generate responses. However, relevant information required to generate responses may also reside in unstructured sources, such as documents. Recent state of the art models such as HyKnow and SeKnow aimed at overcoming these challenges make limiting assumptions about the knowledge sources. For instance, these systems assume that certain types of information, such as a phone number, is always present in a structured knowledge base (KB) while information about aspects such as entrance ticket prices, would always be available in documents. In this paper, we create a modified version of the MutliWOZ-based dataset prepared by SeKnow to demonstrate how current methods have significant degradation in performance when strict assumptions about the source of information are removed. Then, in line with recent work exploiting pre-trained language models, we fine-tune a BART based model using prompts for the tasks of querying knowledge sources, as well as, for response generation, without making assumptions about the information present in each knowledge source. Through a series of experiments, we demonstrate that our model is robust to perturbations to knowledge modality (source of information), and that it can fuse information from structured as well as unstructured knowledge to generate responses.

We consider Bandits with Knapsacks (henceforth, BwK), a general model for multi-armed bandits under supply/budget constraints. In particular, a bandit algorithm needs to solve a well-known knapsack problem: find an optimal packing of items into a limited-size knapsack. The BwK problem is a common generalization of numerous motivating examples, which range from dynamic pricing to repeated auctions to dynamic ad allocation to network routing and scheduling. While the prior work on BwK focused on the stochastic version, we pioneer the other extreme in which the outcomes can be chosen adversarially. This is a considerably harder problem, compared to both the stochastic version and the "classic" adversarial bandits, in that regret minimization is no longer feasible. Instead, the objective is to minimize the competitive ratio: the ratio of the benchmark reward to the algorithm's reward. We design an algorithm with competitive ratio O(log T) relative to the best fixed distribution over actions, where T is the time horizon; we also prove a matching lower bound. The key conceptual contribution is a new perspective on the stochastic version of the problem. We suggest a new algorithm for the stochastic version, which builds on the framework of regret minimization in repeated games and admits a substantially simpler analysis compared to prior work. We then analyze this algorithm for the adversarial version and use it as a subroutine to solve the latter.

We introduce DeepPSL a variant of probabilistic soft logic (PSL) to produce an end-to-end trainable system that integrates reasoning and perception. PSL represents first-order logic in terms of a convex graphical model -- hinge-loss Markov random fields (HL-MRFs). PSL stands out among probabilistic logic frameworks due to its tractability having been applied to systems of more than 1 billion ground rules. The key to our approach is to represent predicates in first-order logic using deep neural networks and then to approximately back-propagate through the HL-MRF and thus train every aspect of the first-order system being represented. We believe that this approach represents an interesting direction for the integration of deep learning and reasoning techniques with applications to knowledge base learning, multi-task learning, and explainability. Evaluation on three different tasks demonstrates that DeepPSL significantly outperforms state-of-the-art neuro-symbolic methods on scalability while achieving comparable or better accuracy.

Statistical analysis is increasingly confronted with complex data from metric spaces. Petersen and M\"uller (2019) established a general paradigm of Fr\'echet regression with complex metric space valued responses and Euclidean predictors. However, the local approach therein involves nonparametric kernel smoothing and suffers from the curse of dimensionality. To address this issue, we in this paper propose a novel random forest weighted local Fr\'echet regression paradigm. The main mechanism of our approach relies on a locally adaptive kernel generated by random forests. Our first method utilizes these weights as the local average to solve the conditional Fr\'echet mean, while the second method performs local linear Fr\'echet regression, both significantly improving existing Fr\'echet regression methods. Based on the theory of infinite order U-processes and infinite order Mmn -estimator, we establish the consistency, rate of convergence, and asymptotic normality for our local constant estimator, which covers the current large sample theory of random forests with Euclidean responses as a special case. Numerical studies show the superiority of our methods with several commonly encountered types of responses such as distribution functions, symmetric positive-definite matrices, and sphere data. The practical merits of our proposals are also demonstrated through the application to human mortality distribution data.

With the increases in computational power and advances in machine learning, data-driven learning-based methods have gained significant attention in solving PDEs. Physics-informed neural networks (PINNs) have recently emerged and succeeded in various forward and inverse PDE problems thanks to their excellent properties, such as flexibility, mesh-free solutions, and unsupervised training. However, their slower convergence speed and relatively inaccurate solutions often limit their broader applicability in many science and engineering domains. This paper proposes a new kind of data-driven PDEs solver, physics-informed cell representations (PIXEL), elegantly combining classical numerical methods and learning-based approaches. We adopt a grid structure from the numerical methods to improve accuracy and convergence speed and overcome the spectral bias presented in PINNs. Moreover, the proposed method enjoys the same benefits in PINNs, e.g., using the same optimization frameworks to solve both forward and inverse PDE problems and readily enforcing PDE constraints with modern automatic differentiation techniques. We provide experimental results on various challenging PDEs that the original PINNs have struggled with and show that PIXEL achieves fast convergence speed and high accuracy. Project page: https://namgyukang.github.io/PIXEL/

For environmental, sustainable economic and political reasons, recycling processes are becoming increasingly important, aiming at a much higher use of secondary raw materials. Currently, for the copper and aluminium industries, no method for the non-destructive online analysis of heterogeneous materials are available. The Prompt Gamma Neutron Activation Analysis (PGNAA) has the potential to overcome this challenge. A difficulty when using PGNAA for online classification arises from the small amount of noisy data, due to short-term measurements. In this case, classical evaluation methods using detailed peak by peak analysis fail. Therefore, we propose to view spectral data as probability distributions. Then, we can classify material using maximum log-likelihood with respect to kernel density estimation and use discrete sampling to optimize hyperparameters. For measurements of pure aluminium alloys we achieve near perfect classification of aluminium alloys under 0.25 second.

Recent advances in deep learning have led to the development of models approaching the human level of accuracy. However, healthcare remains an area lacking in widespread adoption. The safety-critical nature of healthcare results in a natural reticence to put these black-box deep learning models into practice. This paper explores interpretable methods for a clinical decision support system called sleep staging, an essential step in diagnosing sleep disorders. Clinical sleep staging is an arduous process requiring manual annotation for each 30s of sleep using physiological signals such as electroencephalogram (EEG). Recent work has shown that sleep staging using simple models and an exhaustive set of features can perform nearly as well as deep learning approaches but only for some specific datasets. Moreover, the utility of those features from a clinical standpoint is ambiguous. On the other hand, the proposed framework, NormIntSleep demonstrates exceptional performance across different datasets by representing deep learning embeddings using normalized features. NormIntSleep performs 4.5% better than the exhaustive feature-based approach and 1.5% better than other representation learning approaches. An empirical comparison between the utility of the interpretations of these models highlights the improved alignment with clinical expectations when performance is traded-off slightly. NormIntSleep paired with a clinically meaningful set of features can best balance this trade-off by providing reliable, clinically relevant interpretation with robust performance.

In this paper we consider the problem learning of variational models in the context of supervised learning via risk minimization. Our goal is to provide a deeper understanding of the two approaches of learning of variational models via bilevel optimization and via algorithm unrolling. The former considers the variational model as a lower level optimization problem below the risk minimization problem, while the latter replaces the lower level optimization problem by an algorithm that solves said problem approximately. Both approaches are used in practice, but, unrolling is much simpler from a computational point of view. To analyze and compare the two approaches, we consider a simple toy model, and compute all risks and the respective estimators explicitly. We show that unrolling can be better than the bilevel optimization approach, but also that the performance of unrolling can depend significantly on further parameters, sometimes in unexpected ways: While the stepsize of the unrolled algorithm matters a lot, the number of unrolled iterations only matters if the number is even or odd, and these two cases are notably different.

Fruit is a key crop in worldwide agriculture feeding millions of people. The standard supply chain of fruit products involves quality checks to guarantee freshness, taste, and, most of all, safety. An important factor that determines fruit quality is its stage of ripening. This is usually manually classified by experts in the field, which makes it a labor-intensive and error-prone process. Thus, there is an arising need for automation in the process of fruit ripeness classification. Many automatic methods have been proposed that employ a variety of feature descriptors for the food item to be graded. Machine learning and deep learning techniques dominate the top-performing methods. Furthermore, deep learning can operate on raw data and thus relieve the users from having to compute complex engineered features, which are often crop-specific. In this survey, we review the latest methods proposed in the literature to automatize fruit ripeness classification, highlighting the most common feature descriptors they operate on.

The low-dimensional manifold hypothesis posits that the data found in many applications, such as those involving natural images, lie (approximately) on low-dimensional manifolds embedded in a high-dimensional Euclidean space. In this setting, a typical neural network defines a function that takes a finite number of vectors in the embedding space as input. However, one often needs to consider evaluating the optimized network at points outside the training distribution. This paper considers the case in which the training data is distributed in a linear subspace of $\mathbb R^d$. We derive estimates on the variation of the learning function, defined by a neural network, in the direction transversal to the subspace. We study the potential regularization effects associated with the network's depth and noise in the codimension of the data manifold. We also present additional side effects in training due to the presence of noise.

Recent breakthroughs in computing power have made it feasible to use machine learning and deep learning to advance scientific computing in many fields, including fluid mechanics, solid mechanics, materials science, etc. Neural networks, in particular, play a central role in this hybridization. Due to their intrinsic architecture, conventional neural networks cannot be successfully trained and scoped when data is sparse, which is the case in many scientific and engineering domains. Nonetheless, neural networks provide a solid foundation to respect physics-driven or knowledge-based constraints during training. Generally speaking, there are three distinct neural network frameworks to enforce the underlying physics: (i) physics-guided neural networks (PgNNs), (ii) physics-informed neural networks (PiNNs), and (iii) physics-encoded neural networks (PeNNs). These methods provide distinct advantages for accelerating the numerical modeling of complex multiscale multi-physics phenomena. In addition, the recent developments in neural operators (NOs) add another dimension to these new simulation paradigms, especially when the real-time prediction of complex multi-physics systems is required. All these models also come with their own unique drawbacks and limitations that call for further fundamental research. This study aims to present a review of the four neural network frameworks (i.e., PgNNs, PiNNs, PeNNs, and NOs) used in scientific computing research. The state-of-the-art architectures and their applications are reviewed, limitations are discussed, and future research opportunities in terms of improving algorithms, considering causalities, expanding applications, and coupling scientific and deep learning solvers are presented. This critical review provides researchers and engineers with a solid starting point to comprehend how to integrate different layers of physics into neural networks.

In this work, we develop convolutional neural generative coding (Conv-NGC), a generalization of predictive coding to the case of convolution/deconvolution-based computation. Specifically, we concretely implement a flexible neurobiologically-motivated algorithm that progressively refines latent state feature maps in order to dynamically form a more accurate internal representation/reconstruction model of natural images. The performance of the resulting sensory processing system is evaluated on complex datasets such as Color-MNIST, CIFAR-10, and Street House View Numbers (SVHN). We study the effectiveness of our brain-inspired model on the tasks of reconstruction and image denoising and find that it is competitive with convolutional auto-encoding systems trained by backpropagation of errors and outperforms them with respect to out-of-distribution reconstruction (including the full 90k CINIC-10 test set).

This paper studies the algorithmic stability and generalizability of decentralized stochastic gradient descent (D-SGD). We prove that the consensus model learned by D-SGD is $\mathcal{O}{(N^{-1}+m^{-1} +\lambda^2)}$-stable in expectation in the non-convex non-smooth setting, where $N$ is the total sample size, $m$ is the worker number, and $1+\lambda$ is the spectral gap that measures the connectivity of the communication topology. These results then deliver an $\mathcal{O}{(N^{-(1+\alpha)/2}+ m^{-(1+\alpha)/2}+\lambda^{1+\alpha} + \phi_{\mathcal{S}})}$ in-average generalization bound, which is non-vacuous even when $\lambda$ is closed to $1$, in contrast to vacuous as suggested by existing literature on the projected version of D-SGD. Our theory indicates that the generalizability of D-SGD is positively correlated with the spectral gap, and can explain why consensus control in initial training phase can ensure better generalization. Experiments of VGG-11 and ResNet-18 on CIFAR-10, CIFAR-100 and Tiny-ImageNet justify our theory. To our best knowledge, this is the first work on the topology-aware generalization of vanilla D-SGD. Code is available at https://github.com/Raiden-Zhu/Generalization-of-DSGD.

A persistent challenge in conditional image synthesis has been to generate diverse output images from the same input image despite only one output image being observed per input image. GAN-based methods are prone to mode collapse, which leads to low diversity. To get around this, we leverage Implicit Maximum Likelihood Estimation (IMLE) which can overcome mode collapse fundamentally. IMLE uses the same generator as GANs but trains it with a different, non-adversarial objective which ensures each observed image has a generated sample nearby. Unfortunately, to generate high-fidelity images, prior IMLE-based methods require a large number of samples, which is expensive. In this paper, we propose a new method to get around this limitation, which we dub Conditional Hierarchical IMLE (CHIMLE), which can generate high-fidelity images without requiring many samples. We show CHIMLE significantly outperforms the prior best IMLE, GAN and diffusion-based methods in terms of image fidelity and mode coverage across four tasks, namely night-to-day, 16x single image super-resolution, image colourization and image decompression. Quantitatively, our method improves Fr\'echet Inception Distance (FID) by 36.9% on average compared to the prior best IMLE-based method, and by 27.5% on average compared to the best non-IMLE-based general-purpose methods.

Achieving highly accurate dynamic or simulator models that are close to the real robot can facilitate model-based controls (e.g., model predictive control or linear-quadradic regulators), model-based trajectory planning (e.g., trajectory optimization), and decrease the amount of learning time necessary for reinforcement learning methods. Thus, the objective of this work is to learn the residual errors between a dynamic and/or simulator model and the real robot. This is achieved using a neural network, where the parameters of a neural network are updated through an Unscented Kalman Filter (UKF) formulation. Using this method, we model these residual errors with only small amounts of data -- a necessity as we improve the simulator/dynamic model by learning directly from real-world operation. We demonstrate our method on robotic hardware (e.g., manipulator arm, and a wheeled robot), and show that with the learned residual errors, we can further close the reality gap between dynamic models, simulations, and actual hardware.

Learning the graphical structure of Bayesian networks is key to describing data-generating mechanisms in many complex applications but poses considerable computational challenges. Observational data can only identify the equivalence class of the directed acyclic graph underlying a Bayesian network model, and a variety of methods exist to tackle the problem. Under certain assumptions, the popular PC algorithm can consistently recover the correct equivalence class by reverse-engineering the conditional independence (CI) relationships holding in the variable distribution. The dual PC algorithm is a novel scheme to carry out the CI tests within the PC algorithm by leveraging the inverse relationship between covariance and precision matrices. By exploiting block matrix inversions we can simultaneously perform tests on partial correlations of complementary (or dual) conditioning sets. The multiple CI tests of the dual PC algorithm proceed by first considering marginal and full-order CI relationships and progressively moving to central-order ones. Simulation studies show that the dual PC algorithm outperforms the classic PC algorithm both in terms of run time and in recovering the underlying network structure, even in the presence of deviations from Gaussianity. Additionally, we show that the dual PC algorithm applies for Gaussian copula models, and demonstrate its performance in that setting.

Recent works have introduced input-convex neural networks (ICNNs) as learning models with advantageous training, inference, and generalization properties linked to their convex structure. In this paper, we propose a novel feature-convex neural network architecture as the composition of an ICNN with a Lipschitz feature map in order to achieve adversarial robustness. We consider the asymmetric binary classification setting with one "sensitive" class, and for this class we prove deterministic, closed-form, and easily-computable certified robust radii for arbitrary $\ell_p$-norms. We theoretically justify the use of these models by characterizing their decision region geometry, extending the universal approximation theorem for ICNN regression to the classification setting, and proving a lower bound on the probability that such models perfectly fit even unstructured uniformly distributed data in sufficiently high dimensions. Experiments on Malimg malware classification and subsets of MNIST, Fashion-MNIST, and CIFAR-10 datasets show that feature-convex classifiers attain state-of-the-art certified $\ell_1$-radii as well as substantial $\ell_2$- and $\ell_{\infty}$-radii while being far more computationally efficient than any competitive baseline.

Self-organization is ubiquitous in nature and mind. However, machine learning and theories of cognition still barely touch the subject. The hurdle is that general patterns are difficult to define in terms of dynamical equations and designing a system that could learn by reordering itself is still to be seen. Here, we propose a learning system, where patterns are defined within the realm of nonlinear dynamics with positive and negative feedback loops, allowing attractor-repeller pairs to emerge for each pattern observed. Experiments reveal that such a system can map temporal to spatial correlation, enabling hierarchical structures to be learned from sequential data. The results are accurate enough to surpass state-of-the-art unsupervised learning algorithms in seven out of eight experiments as well as two real-world problems. Interestingly, the dynamic nature of the system makes it inherently adaptive, giving rise to phenomena similar to phase transitions in chemistry/thermodynamics when the input structure changes. Thus, the work here sheds light on how self-organization can allow for pattern recognition and hints at how intelligent behavior might emerge from simple dynamic equations without any objective/loss function.

Recent advances in the understanding of Generative Adversarial Networks (GANs) have led to remarkable progress in visual editing and synthesis tasks, capitalizing on the rich semantics that are embedded in the latent spaces of pre-trained GANs. However, existing methods are often tailored to specific GAN architectures and are limited to either discovering global semantic directions that do not facilitate localized control, or require some form of supervision through manually provided regions or segmentation masks. In this light, we present an architecture-agnostic approach that jointly discovers factors representing spatial parts and their appearances in an entirely unsupervised fashion. These factors are obtained by applying a semi-nonnegative tensor factorization on the feature maps, which in turn enables context-aware local image editing with pixel-level control. In addition, we show that the discovered appearance factors correspond to saliency maps that localize concepts of interest, without using any labels. Experiments on a wide range of GAN architectures and datasets show that, in comparison to the state of the art, our method is far more efficient in terms of training time and, most importantly, provides much more accurate localized control. Our code is available at: https://github.com/james-oldfield/PandA.

Research publications are the primary vehicle for sharing scientific progress in the form of new discoveries, methods, techniques, and insights. Publications have been studied from the perspectives of both content analysis and bibliometric structure, but a barrier to more comprehensive studies of scientific research is a lack of publicly accessible large-scale data and resources. In this paper, we present PubGraph, a new resource for studying scientific progress that takes the form of a large-scale temporal knowledge graph (KG). It contains more than 432M nodes and 15.49B edges mapped to the popular Wikidata ontology. We extract three KGs with varying sizes from PubGraph to allow experimentation at different scales. Using these KGs, we introduce a new link prediction benchmark for transductive and inductive settings with temporally-aligned training, validation, and testing partitions. Moreover, we develop two new inductive learning methods better suited to PubGraph, operating on unseen nodes without explicit features, scaling to large KGs, and outperforming existing models. Our results demonstrate that structural features of past citations are sufficient to produce high-quality predictions about new publications. We also identify new challenges for KG models, including an adversarial community-based link prediction setting, zero-shot inductive learning, and large-scale learning.

We study a matrix that arises from a singular form of the Woodbury matrix identity. We present generalized inverse and pseudo-determinant identities for this matrix, which have direct applications for Gaussian process regression, specifically its likelihood representation and precision matrix. We extend the definition of the precision matrix to the Bott-Duffin inverse of the covariance matrix, preserving properties related to conditional independence, conditional precision, and marginal precision. We also provide an efficient algorithm and numerical analysis for the presented determinant identities and demonstrate their advantages under specific conditions relevant to computing log-determinant terms in likelihood functions of Gaussian process regression.

In online learning problems, exploiting low variance plays an important role in obtaining tight performance guarantees yet is challenging because variances are often not known a priori. Recently, considerable progress has been made by Zhang et al. (2021) where they obtain a variance-adaptive regret bound for linear bandits without knowledge of the variances and a horizon-free regret bound for linear mixture Markov decision processes (MDPs). In this paper, we present novel analyses that improve their regret bounds significantly. For linear bandits, we achieve $\tilde O(\min\{d\sqrt{K}, d^{1.5}\sqrt{\sum_{k=1}^K \sigma_k^2}\} + d^2)$ where $d$ is the dimension of the features, $K$ is the time horizon, and $\sigma_k^2$ is the noise variance at time step $k$, and $\tilde O$ ignores polylogarithmic dependence, which is a factor of $d^3$ improvement. For linear mixture MDPs with the assumption of maximum cumulative reward in an episode being in $[0,1]$, we achieve a horizon-free regret bound of $\tilde O(d \sqrt{K} + d^2)$ where $d$ is the number of base models and $K$ is the number of episodes. This is a factor of $d^{3.5}$ improvement in the leading term and $d^7$ in the lower order term. Our analysis critically relies on a novel peeling-based regret analysis that leverages the elliptical potential `count' lemma.

Synthesis prediction is a key accelerator for the rapid design of advanced materials. However, determining synthesis variables such as the choice of precursor materials, operations, and conditions is challenging for inorganic materials because the sequence of reactions during heating is not well understood. In this work, we use a knowledge base of 29,900 solid-state synthesis recipes, text-mined from the scientific literature, to automatically learn which precursors to recommend for the synthesis of a novel target material. The data-driven approach learns chemical similarity of materials and refers the synthesis of a new target to precedent synthesis procedures of similar materials, mimicking human synthesis design. When proposing five precursor sets for each of 2,654 unseen test target materials, the recommendation strategy achieves a success rate of at least 82%. Our approach captures decades of heuristic synthesis data in a mathematical form, making it accessible for use in recommendation engines and autonomous laboratories.

We present temporally layered architecture (TLA), a biologically inspired system for temporally adaptive distributed control. TLA layers a fast and a slow controller together to achieve temporal abstraction that allows each layer to focus on a different time-scale. Our design is biologically inspired and draws on the architecture of the human brain which executes actions at different timescales depending on the environment's demands. Such distributed control design is widespread across biological systems because it increases survivability and accuracy in certain and uncertain environments. We demonstrate that TLA can provide many advantages over existing approaches, including persistent exploration, adaptive control, explainable temporal behavior, compute efficiency and distributed control. We present two different algorithms for training TLA: (a) Closed-loop control, where the fast controller is trained over a pre-trained slow controller, allowing better exploration for the fast controller and closed-loop control where the fast controller decides whether to "act-or-not" at each timestep; and (b) Partially open loop control, where the slow controller is trained over a pre-trained fast controller, allowing for open loop-control where the slow controller picks a temporally extended action or defers the next n-actions to the fast controller. We evaluated our method on a suite of continuous control tasks and demonstrate the advantages of TLA over several strong baselines.

Reward shaping (RS) is a powerful method in reinforcement learning (RL) for overcoming the problem of sparse or uninformative rewards. However, RS typically relies on manually engineered shaping-reward functions whose construction is time-consuming and error-prone. It also requires domain knowledge which runs contrary to the goal of autonomous learning. We introduce Reinforcement Learning Optimising Shaping Algorithm (ROSA), an automated reward shaping framework in which the shaping-reward function is constructed in a Markov game between two agents. A reward-shaping agent (Shaper) uses switching controls to determine which states to add shaping rewards for more efficient learning while the other agent (Controller) learns the optimal policy for the task using these shaped rewards. We prove that ROSA, which adopts existing RL algorithms, learns to construct a shaping-reward function that is beneficial to the task thus ensuring efficient convergence to high performance policies. We demonstrate ROSA's properties in three didactic experiments and show its superior performance against state-of-the-art RS algorithms in challenging sparse reward environments.

Autonomous systems increasingly rely on machine learning techniques to transform high-dimensional raw inputs into predictions that are then used for decision-making and control. However, it is often easy to maliciously manipulate such inputs and, as a result, predictions. While effective techniques have been proposed to certify the robustness of predictions to adversarial input perturbations, such techniques have been disembodied from control systems that make downstream use of the predictions. We propose the first approach for composing robustness certification of predictions with respect to raw input perturbations with robust control to obtain certified robustness of control to adversarial input perturbations. We use a case study of adaptive vehicle control to illustrate our approach and show the value of the resulting end-to-end certificates through extensive experiments.

Non-linear dynamical systems can be handily described by the associated Koopman operator, whose action evolves every observable of the system forward in time. Learning the Koopman operator from data is enabled by a number of algorithms. In this work we present nonasymptotic learning bounds for the Koopman eigenvalues and eigenfunctions estimated by two popular algorithms: Extended Dynamic Mode Decomposition (EDMD) and Reduced Rank Regression (RRR). We focus on time-reversal-invariant Markov chains, implying that the Koopman operator is self-adjoint. This includes important examples of stochastic dynamical systems, notably Langevin dynamics. Our spectral learning bounds are driven by the simultaneous control of the operator norm risk of the estimators and a metric distortion associated to the corresponding eigenfunctions. Our analysis indicates that both algorithms have similar variance, but EDMD suffers from a larger bias which might be detrimental to its learning rate. We further argue that a large metric distortion may lead to spurious eigenvalues, a phenomenon which has been empirically observed, and note that metric distortion can be estimated from data. Numerical experiments complement the theoretical findings.

Unconditional scene inference and generation are challenging to learn jointly with a single compositional model. Despite encouraging progress on models that extract object-centric representations ("slots") from images, unconditional generation of scenes from slots has received less attention. This is primarily because learning the multi-object relations necessary to imagine coherent scenes is difficult. We hypothesize that most existing slot-based models have a limited ability to learn object correlations. We propose two improvements that strengthen slot correlation learning. The first is to condition the slots on a global, scene-level variable that captures higher-order correlations between slots. Second, we address the fundamental lack of a canonical order for objects by proposing to learn a consistent order to use for the autoregressive generation of scene objects. Specifically, we train an autoregressive slot prior to sequentially generate scene objects following the learned order. Slot inference entails estimating a randomly ordered set of slots using existing approaches for extracting slots from images, then aligning those slots to ordered slots generated autoregressively with the prior. Our experiments across three multi-object environments demonstrate clear gains in scene generation quality. Detailed ablation studies are also provided that validate the two proposed improvements.

Increasingly, researchers have suggested the benefits of temporal analysis to improve our understanding of the learning process. Sequential pattern mining (SPM), as a pattern recognition technique, has the potential to reveal the temporal aspects of learning and can be a valuable tool in educational data science. However, its potential is not well understood and exploited. This chapter addresses this gap by reviewing work that utilizes sequential pattern mining in educational contexts. We identify that SPM is suitable for mining learning behaviors, analyzing and enriching educational theories, evaluating the efficacy of instructional interventions, generating features for prediction models, and building educational recommender systems. SPM can contribute to these purposes by discovering similarities and differences in learners' activities and revealing the temporal change in learning behaviors. As a sequential analysis method, SPM can reveal unique insights about learning processes and be powerful for self-regulated learning research. It is more flexible in capturing the relative arrangement of learning events than the other sequential analysis methods. Future research may improve its utility in educational data science by developing tools for counting pattern occurrences as well as identifying and removing unreliable patterns. Future work needs to establish a systematic guideline for data preprocessing, parameter setting, and interpreting sequential patterns.

We study the problem of reinforcement learning for a task encoded by a reward machine. The task is defined over a set of properties in the environment, called atomic propositions, and represented by Boolean variables. One unrealistic assumption commonly used in the literature is that the truth values of these propositions are accurately known. In real situations, however, these truth values are uncertain since they come from sensors that suffer from imperfections. At the same time, reward machines can be difficult to model explicitly, especially when they encode complicated tasks. We develop a reinforcement-learning algorithm that infers a reward machine that encodes the underlying task while learning how to execute it, despite the uncertainties of the propositions' truth values. In order to address such uncertainties, the algorithm maintains a probabilistic estimate about the truth value of the atomic propositions; it updates this estimate according to new sensory measurements that arrive from the exploration of the environment. Additionally, the algorithm maintains a hypothesis reward machine, which acts as an estimate of the reward machine that encodes the task to be learned. As the agent explores the environment, the algorithm updates the hypothesis reward machine according to the obtained rewards and the estimate of the atomic propositions' truth value. Finally, the algorithm uses a Q-learning procedure for the states of the hypothesis reward machine to determine the policy that accomplishes the task. We prove that the algorithm successfully infers the reward machine and asymptotically learns a policy that accomplishes the respective task.

Estimating time-varying graphical models are of paramount importance in various social, financial, biological, and engineering systems, since the evolution of such networks can be utilized for example to spot trends, detect anomalies, predict vulnerability, and evaluate the impact of interventions. Existing methods require extensive tuning of parameters that control the graph sparsity and temporal smoothness. Furthermore, these methods are computationally burdensome with time complexity $O(NP^3)$ for $P$ variables and $N$ time points. As a remedy, we propose a low-complexity tuning-free Bayesian approach, named BASS. Specifically, we impose temporally-dependent spike-and-slab priors on the graphs such that they are sparse and varying smoothly across time. A variational inference algorithm is then derived to learn the graph structures from the data automatically. Owning to the pseudo-likelihood and the mean-field approximation, the time complexity of BASS is only $O(NP^2)$. Additionally, by identifying the frequency-domain resemblance to the time-varying graphical models, we show that BASS can be extended to learning frequency-varying inverse spectral density matrices, and yields graphical models for multivariate stationary time series. Numerical results on both synthetic and real data show that that BASS can better recover the underlying true graphs, while being more efficient than the existing methods, especially for high-dimensional cases.

Graph convolutional networks (GCNs) allow us to learn topologically-aware node embeddings, which can be useful for classification or link prediction. However, they are unable to capture long-range dependencies without adding additional layers -- which in turn leads to over-smoothing and increased time and space complexity. Further, the complex dependencies between nodes make mini-batching challenging, limiting their applicability to large graphs. We propose a Scalable Multi-resolution Graph Representation Learning (SMGRL) framework that enables us to learn multi-resolution node embeddings efficiently. Our framework is model-agnostic and can be applied to any existing GCN model. We dramatically reduce training costs by training only on a reduced-dimension coarsening of the original graph, then exploit self-similarity to apply the resulting algorithm at multiple resolutions. The resulting multi-resolution embeddings can be aggregated to yield high-quality node embeddings that capture both long- and short-range dependencies. Our experiments show that this leads to improved classification accuracy, without incurring high computational costs.

This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.

Machine learning (ML) is playing an increasing role in decision-making tasks that directly affect individuals, e.g., loan approvals, or job applicant screening. Significant concerns arise that, without special provisions, individuals from under-privileged backgrounds may not get equitable access to services and opportunities. Existing research studies fairness with respect to protected attributes such as gender, race or income, but the impact of location data on fairness has been largely overlooked. With the widespread adoption of mobile apps, geospatial attributes are increasingly used in ML, and their potential to introduce unfair bias is significant, given their high correlation with protected attributes. We propose techniques to mitigate location bias in machine learning. Specifically, we consider the issue of miscalibration when dealing with geospatial attributes. We focus on spatial group fairness and we propose a spatial indexing algorithm that accounts for fairness. Our KD-tree inspired approach significantly improves fairness while maintaining high learning accuracy, as shown by extensive experimental results on real data.

Ensuring fairness in machine learning algorithms is a challenging and essential task. We consider the problem of clustering a set of points while satisfying fairness constraints. While there have been several attempts to capture group fairness in the $k$-clustering problem, fairness at an individual level is relatively less explored. We introduce a new notion of individual fairness in $k$-clustering based on features not necessarily used for clustering. We show that this problem is NP-hard and does not admit a constant factor approximation. Therefore, we design a randomized algorithm that guarantees approximation both in terms of minimizing the clustering distance objective and individual fairness under natural restrictions on the distance metric and fairness constraints. Finally, our experimental results against six competing baselines validate that our algorithm produces individually fairer clusters than the fairest baseline by 12.5% on average while also being less costly in terms of the clustering objective than the best baseline by 34.5% on average.

Industrial SAT formula generation is a critical yet challenging task for heuristic development and the surging learning-based methods in practical SAT applications. Existing SAT generation approaches can hardly simultaneously capture the global structural properties and maintain plausible computational hardness, which can be hazardous for the various downstream engagements. To this end, we first present an in-depth analysis for the limitation of previous learning methods in reproducing the computational hardness of original instances, which may stem from the inherent homogeneity in their adopted split-merge procedure. On top of the observations that industrial formulae exhibit clear community structure and oversplit substructures lead to the difficulty in semantic formation of logical structures, we propose HardSATGEN, which introduces a fine-grained control mechanism to the neural split-merge paradigm for SAT formula generation to better recover the structural and computational properties of the industrial benchmarks. Experimental results including evaluations on private corporate data and hyperparameter tuning over solvers in practical use show the significant superiority of HardSATGEN being the only method to successfully augments formulae maintaining similar computational hardness and capturing the global structural properties simultaneously. Compared to the best previous methods to our best knowledge, the average performance gains achieve 38.5% in structural statistics, 88.4% in computational metrics, and over 140.7% in the effectiveness of guiding solver development tuned by our generated instances.

Although a concept class may be learnt more efficiently using quantum samples as compared with classical samples in certain scenarios, Arunachalam and de Wolf (JMLR, 2018) proved that quantum learners are asymptotically no more efficient than classical ones in the quantum PAC and Agnostic learning models. They established lower bounds on sample complexity via quantum state identification and Fourier analysis. In this paper, we derive optimal lower bounds for quantum sample complexity in both the PAC and agnostic models via an information-theoretic approach. The proofs are arguably simpler, and the same ideas can potentially be used to derive optimal bounds for other problems in quantum learning theory. We then turn to a quantum analogue of the Coupon Collector problem, a classic problem from probability theory also of importance in the study of PAC learning. Arunachalam, Belovs, Childs, Kothari, Rosmanis, and de Wolf (TQC, 2020) characterized the quantum sample complexity of this problem up to constant factors. First, we show that the information-theoretic approach mentioned above provably does not yield the optimal lower bound. As a by-product, we get a natural ensemble of pure states in arbitrarily high dimensions which are not easily (simultaneously) distinguishable, while the ensemble has close to maximal Holevo information. Second, we discover that the information-theoretic approach yields an asymptotically optimal bound for an approximation variant of the problem. Finally, we derive a sharp lower bound for the Quantum Coupon Collector problem, with the exact leading order term, via the generalized Holevo-Curlander bounds on the distinguishability of an ensemble. All the aspects of the Quantum Coupon Collector problem we study rest on properties of the spectrum of the associated Gram matrix, which may be of independent interest.

Unsupervised domain adaptation (UDA) is a technique used to transfer knowledge from a labeled source domain to a different but related unlabeled target domain. While many UDA methods have shown success in the past, they often assume that the source and target domains must have identical class label distributions, which can limit their effectiveness in real-world scenarios. To address this limitation, we propose a novel generalization bound that reweights source classification error by aligning source and target sub-domains. We prove that our proposed generalization bound is at least as strong as existing bounds under realistic assumptions, and we empirically show that it is much stronger on real-world data. We then propose an algorithm to minimize this novel generalization bound. We demonstrate by numerical experiments that this approach improves performance in shifted class distribution scenarios compared to state-of-the-art methods.

Anomalies in univariate time series often refer to abnormal values and deviations from the temporal patterns from majority of historical observations. In multivariate time series, anomalies also refer to abnormal changes in the inter-series relationship, such as correlation, over time. Existing studies have been able to model such inter-series relationships through graph neural networks. However, most works settle on learning a static graph globally or within a context window to assist a time series forecasting task or a reconstruction task, whose objective is not tailored to explicitly detect the abnormal relationship. Some other works detect anomalies based on reconstructing or forecasting a list of inter-series graphs, which inadvertently weakens their power to capture temporal patterns within the data due to the discrete nature of graphs. In this study, we propose DyGraphAD, a multivariate time series anomaly detection framework based upon a list of dynamic inter-series graphs. The core idea is to detect anomalies based on the deviation of inter-series relationships and intra-series temporal patterns from normal to anomalous states, by leveraging the evolving nature of the graphs in order to assist a graph forecasting task and a time series forecasting task simultaneously. Our numerical experiments on real-world datasets demonstrate that DyGraphAD has superior performance than baseline anomaly detection approaches.

Programmable logic controller (PLC) based industrial control systems (ICS) are used to monitor and control critical infrastructure. Integration of communication networks and an Internet of Things approach in ICS has increased ICS vulnerability to cyber-attacks. This work proposes novel unsupervised machine learning ensemble methods for anomaly detection in PLC-based ICS. The work presents two broad approaches to anomaly detection: a weighted voting ensemble approach with a learning algorithm based on coefficient of determination and a stacking-based ensemble approach using isolation forest meta-detector. The two ensemble methods were analyzed via an open-source PLC-based ICS subjected to multiple attack scenarios as a case study. The work considers four different learning models for the weighted voting ensemble method. Comparative performance analyses of five ensemble methods driven diverse base detectors are presented. Results show that stacking-based ensemble method using isolation forest meta-detector achieves superior performance to previous work on all performance metrics. Results also suggest that effective unsupervised ensemble methods, such as stacking-based ensemble having isolation forest meta-detector, can robustly detect anomalies in arbitrary ICS datasets. Finally, the presented results were validated by using statistical hypothesis tests.

Model extraction attack is one of the most prominent adversarial techniques to target machine learning models along with membership inference attack and model inversion attack. On the other hand, Explainable Artificial Intelligence (XAI) is a set of techniques and procedures to explain the decision making process behind AI. XAI is a great tool to understand the reasoning behind AI models but the data provided for such revelation creates security and privacy vulnerabilities. In this poster, we propose AUTOLYCUS, a model extraction attack that exploits the explanations provided by LIME to infer the decision boundaries of decision tree models and create extracted surrogate models that behave similar to a target model.

The proliferation of deep learning (DL) has led to the emergence of privacy and security concerns. To address these issues, secure Two-party computation (2PC) has been proposed as a means of enabling privacy-preserving DL computation. However, in practice, 2PC methods often incur high computation and communication overhead, which can impede their use in large-scale systems. To address this challenge, we introduce RRNet, a systematic framework that aims to jointly reduce the overhead of MPC comparison protocols and accelerate computation through hardware acceleration. Our approach integrates the hardware latency of cryptographic building blocks into the DNN loss function, resulting in improved energy efficiency, accuracy, and security guarantees. Furthermore, we propose a cryptographic hardware scheduler and corresponding performance model for Field Programmable Gate Arrays (FPGAs) to further enhance the efficiency of our framework. Experiments show RRNet achieved a much higher ReLU reduction performance than all SOTA works on CIFAR-10 dataset.

Tabular data is a common form of organizing data. Multiple models are available to generate synthetic tabular datasets where observations are independent, but few have the ability to produce relational datasets. Modeling relational data is challenging as it requires modeling both a "parent" table and its relationships across tables. We introduce REaLTabFormer (Realistic Relational and Tabular Transformer), a tabular and relational synthetic data generation model. It first creates a parent table using an autoregressive GPT-2 model, then generates the relational dataset conditioned on the parent table using a sequence-to-sequence (Seq2Seq) model. We implement target masking to prevent data copying and propose the $Q_{\delta}$ statistic and statistical bootstrapping to detect overfitting. Experiments using real-world datasets show that REaLTabFormer captures the relational structure better than a baseline model. REaLTabFormer also achieves state-of-the-art results on prediction tasks, "out-of-the-box", for large non-relational datasets without needing fine-tuning.

Content creators compete for exposure on recommendation platforms, and such strategic behavior leads to a dynamic shift over the content distribution. However, how the creators' competition impacts user welfare and how the relevance-driven recommendation influences the dynamics in the long run are still largely unknown. This work provides theoretical insights into these research questions. We model the creators' competition under the assumptions that: 1) the platform employs an innocuous top-$K$ recommendation policy; 2) user decisions follow the Random Utility model; 3) content creators compete for user engagement and, without knowing their utility function in hindsight, apply arbitrary no-regret learning algorithms to update their strategies. We study the user welfare guarantee through the lens of Price of Anarchy and show that the fraction of user welfare loss due to creator competition is always upper bounded by a small constant depending on $K$ and randomness in user decisions; we also prove the tightness of this bound. Our result discloses an intrinsic merit of the myopic approach to the recommendation, i.e., relevance-driven matching performs reasonably well in the long run, as long as users' decisions involve randomness and the platform provides reasonably many alternatives to its users.

Traditional classifiers infer labels under the premise that the training and test samples are generated from the same distribution. This assumption can be problematic for safety-critical applications such as medical diagnosis and network attack detection. In this paper, we consider the multi-class classification problem when the training data and the test data may have different distributions. We propose conformalized semi-supervised random forest (CSForest), which constructs set-valued predictions $C(x)$ to include the correct class label with desired probability while detecting outliers efficiently. We compare the proposed method to other state-of-art methods in both a synthetic example and a real data application to demonstrate the strength of our proposal.

In this paper, we propose REASON, a novel framework that enables the automatic discovery of both intra-level (i.e., within-network) and inter-level (i.e., across-network) causal relationships for root cause localization. REASON consists of Topological Causal Discovery and Individual Causal Discovery. The Topological Causal Discovery component aims to model the fault propagation in order to trace back to the root causes. To achieve this, we propose novel hierarchical graph neural networks to construct interdependent causal networks by modeling both intra-level and inter-level non-linear causal relations. Based on the learned interdependent causal networks, we then leverage random walks with restarts to model the network propagation of a system fault. The Individual Causal Discovery component focuses on capturing abrupt change patterns of a single system entity. This component examines the temporal patterns of each entity's metric data (i.e., time series), and estimates its likelihood of being a root cause based on the Extreme Value theory. Combining the topological and individual causal scores, the top K system entities are identified as root causes. Extensive experiments on three real-world datasets with case studies demonstrate the effectiveness and superiority of the proposed framework.

The article investigates the possibility of measuring the strength of a linear correlation relationship between nominal data and numerical data. Correlation coefficients for variables coded with real numbers as well as for variables coded with complex numbers were studied. For variables coded with real numbers, unambiguous measures of real linear correlation were obtained. In the case of complex coding, it has been observed that the obtained complex correlation coefficients change with the permutation of the phases in the complex numbers used to code classes of elements with equal cardinalities. It was found that a necessary condition for linear correlation is the possibility of linear ordering of a set with data. Since linear order is not possible in the set of complex numbers, complex correlation coefficients cannot be used as a measure of linear correlation. In the event of such a situation, a substitute action was suggested that would prevent equal cardinality of classes of identical elements contained in the set with nominal data. This action would consist in the correction of data, analogous to the correction during preprocessing or cleaning of data containing missing or outlier values.

We introduce Dynamic Contextual Markov Decision Processes (DCMDPs), a novel reinforcement learning framework for history-dependent environments that generalizes the contextual MDP framework to handle non-Markov environments, where contexts change over time. We consider special cases of the model, with a focus on logistic DCMDPs, which break the exponential dependence on history length by leveraging aggregation functions to determine context transitions. This special structure allows us to derive an upper-confidence-bound style algorithm for which we establish regret bounds. Motivated by our theoretical results, we introduce a practical model-based algorithm for logistic DCMDPs that plans in a latent space and uses optimism over history-dependent features. We demonstrate the efficacy of our approach on a recommendation task (using MovieLens data) where user behavior dynamics evolve in response to recommendations.

Image augmentation is a common mechanism to alleviate data scarcity in computer vision. Existing image augmentation methods often apply pre-defined transformations or mixup to augment the original image, but only locally vary the image. This makes them struggle to find a balance between maintaining semantic information and improving the diversity of augmented images. In this paper, we propose a Semantic-guided Image augmentation method with Pre-trained models (SIP). Specifically, SIP constructs prompts with image labels and captions to better guide the image-to-image generation process of the pre-trained Stable Diffusion model. The semantic information contained in the original images can be well preserved, and the augmented images still maintain diversity. Experimental results show that SIP can improve two commonly used backbones, i.e., ResNet-50 and ViT, by 12.60% and 2.07% on average over seven datasets, respectively. Moreover, SIP not only outperforms the best image augmentation baseline RandAugment by 4.46% and 1.23% on two backbones, but also further improves the performance by integrating naturally with the baseline. A detailed analysis of SIP is presented, including the diversity of augmented images, an ablation study on textual prompts, and a case study on the generated images.

We initiate the study of federated reinforcement learning under environmental heterogeneity by considering a policy evaluation problem. Our setup involves $N$ agents interacting with environments that share the same state and action space but differ in their reward functions and state transition kernels. Assuming agents can communicate via a central server, we ask: Does exchanging information expedite the process of evaluating a common policy? To answer this question, we provide the first comprehensive finite-time analysis of a federated temporal difference (TD) learning algorithm with linear function approximation, while accounting for Markovian sampling, heterogeneity in the agents' environments, and multiple local updates to save communication. Our analysis crucially relies on several novel ingredients: (i) deriving perturbation bounds on TD fixed points as a function of the heterogeneity in the agents' underlying Markov decision processes (MDPs); (ii) introducing a virtual MDP to closely approximate the dynamics of the federated TD algorithm; and (iii) using the virtual MDP to make explicit connections to federated optimization. Putting these pieces together, we rigorously prove that in a low-heterogeneity regime, exchanging model estimates leads to linear convergence speedups in the number of agents.

MDPs with low-rank transitions -- that is, the transition matrix can be factored into the product of two matrices, left and right -- is a highly representative structure that enables tractable learning. The left matrix enables expressive function approximation for value-based learning and has been studied extensively. In this work, we instead investigate sample-efficient learning with density features, i.e., the right matrix, which induce powerful models for state-occupancy distributions. This setting not only sheds light on leveraging unsupervised learning in RL, but also enables plug-in solutions for convex RL. In the offline setting, we propose an algorithm for off-policy estimation of occupancies that can handle non-exploratory data. Using this as a subroutine, we further devise an online algorithm that constructs exploratory data distributions in a level-by-level manner. As a central technical challenge, the additive error of occupancy estimation is incompatible with the multiplicative definition of data coverage. In the absence of strong assumptions like reachability, this incompatibility easily leads to exponential error blow-up, which we overcome via novel technical tools. Our results also readily extend to the representation learning setting, when the density features are unknown and must be learned from an exponentially large candidate set.

Current benchmarks for evaluating neural code models focus on only a small subset of programming languages, excluding many popular languages such as Go or Rust. To ameliorate this issue, we present the BabelCode framework for execution-based evaluation of any benchmark in any language. BabelCode enables new investigations into the qualitative performance of models' memory, runtime, and individual test case results. Additionally, we present a new code translation dataset called Translating Python Programming Puzzles (TP3) from the Python Programming Puzzles (Schuster et al. 2021) benchmark that involves translating expert-level python functions to any language. With both BabelCode and the TP3 benchmark, we investigate if balancing the distributions of 14 languages in a training dataset improves a large language model's performance on low-resource languages. Training a model on a balanced corpus results in, on average, 12.34% higher $pass@k$ across all tasks and languages compared to the baseline. We find that this strategy achieves 66.48% better $pass@k$ on low-resource languages at the cost of only a 12.94% decrease to high-resource languages. In our three translation tasks, this strategy yields, on average, 30.77% better low-resource $pass@k$ while having 19.58% worse high-resource $pass@k$.

Bayesian network is a frequently-used method for fault detection and diagnosis in industrial processes. The basis of Bayesian network is structure learning which learns a directed acyclic graph (DAG) from data. However, the search space will scale super-exponentially with the increase of process variables, which makes the data-driven structure learning a challenging problem. To this end, the DAGs with NOTEARs methods are being well studied not only for their conversion of the discrete optimization into continuous optimization problem but also their compatibility with deep learning framework. Nevertheless, there still remain challenges for NOTEAR-based methods: 1) the infeasible solution results from the gradient descent-based optimization paradigm; 2) the truncation operation to promise the learned graph acyclic. In this work, the reason for challenge 1) is analyzed theoretically, and a novel method named DAGs with Tears method is proposed based on mix-integer programming to alleviate challenge 2). In addition, prior knowledge is able to incorporate into the new proposed method, making structure learning more practical and useful in industrial processes. Finally, a numerical example and an industrial example are adopted as case studies to demonstrate the superiority of the developed method.

Neural operators have emerged as a powerful tool for solving partial differential equations in the context of scientific machine learning. Here, we implement and train a modified Fourier neural operator as a surrogate solver for electromagnetic scattering problems and compare its data efficiency to existing methods. We further demonstrate its application to the gradient-based nanophotonic inverse design of free-form, fully three-dimensional electromagnetic scatterers, an area that has so far eluded the application of deep learning techniques.

Real-world processes often contain intermediate state that can be modeled as an extremely sparse tensor. We introduce Sparling, a new kind of informational bottleneck that explicitly models this state by enforcing extreme activation sparsity. We additionally demonstrate that this technique can be used to learn the true intermediate representation with no additional supervision (i.e., from only end-to-end labeled examples), and thus improve the interpretability of the resulting models. On our DigitCircle domain, we are able to get an intermediate state prediction accuracy of 98.84%, even as we only train end-to-end.

We introduce the decision-aware time-series conditional generative adversarial network (DAT-CGAN) as a method for time-series generation. The framework adopts a multi-Wasserstein loss on structured decision-related quantities, capturing the heterogeneity of decision-related data and providing new effectiveness in supporting the decision processes of end users. We improve sample efficiency through an overlapped block-sampling method, and provide a theoretical characterization of the generalization properties of DAT-CGAN. The framework is demonstrated on financial time series for a multi-time-step portfolio choice problem. We demonstrate better generative quality in regard to underlying data and different decision-related quantities than strong, GAN-based baselines.

We propose to study and promote the robustness of a model as per its performance through the interpolation of training data distributions. Specifically, (1) we augment the data by finding the worst-case Wasserstein barycenter on the geodesic connecting subpopulation distributions of different categories. (2) We regularize the model for smoother performance on the continuous geodesic path connecting subpopulation distributions. (3) Additionally, we provide a theoretical guarantee of robustness improvement and investigate how the geodesic location and the sample size contribute, respectively. Experimental validations of the proposed strategy on four datasets, including CIFAR-100 and ImageNet, establish the efficacy of our method, e.g., our method improves the baselines' certifiable robustness on CIFAR10 up to $7.7\%$, with $16.8\%$ on empirical robustness on CIFAR-100. Our work provides a new perspective of model robustness through the lens of Wasserstein geodesic-based interpolation with a practical off-the-shelf strategy that can be combined with existing robust training methods.

Contrastive Learning and Masked Image Modelling have demonstrated exceptional performance on self-supervised representation learning, where Momentum Contrast (i.e., MoCo) and Masked AutoEncoder (i.e., MAE) are the state-of-the-art, respectively. In this work, we propose MOMA to distill from pre-trained MoCo and MAE in a self-supervised manner to collaborate the knowledge from both paradigms. We introduce three different mechanisms of knowledge transfer in the propsoed MOMA framework. : (1) Distill pre-trained MoCo to MAE. (2) Distill pre-trained MAE to MoCo (3) Distill pre-trained MoCo and MAE to a random initialized student. During the distillation, the teacher and the student are fed with original inputs and masked inputs, respectively. The learning is enabled by aligning the normalized representations from the teacher and the projected representations from the student. This simple design leads to efficient computation with extremely high mask ratio and dramatically reduced training epochs, and does not require extra considerations on the distillation target. The experiments show MOMA delivers compact student models with comparable performance to existing state-of-the-art methods, combining the power of both self-supervised learning paradigms. It presents competitive results against different benchmarks in computer vision. We hope our method provides an insight on transferring and adapting the knowledge from large-scale pre-trained models in a computationally efficient way.

In this work, we define a diffusion-based generative model capable of both music synthesis and source separation by learning the score of the joint probability density of sources sharing a context. Alongside the classic total inference tasks (i.e. generating a mixture, separating the sources), we also introduce and experiment on the partial inference task of source imputation, where we generate a subset of the sources given the others (e.g., play a piano track that goes well with the drums). Additionally, we introduce a novel inference method for the separation task. We train our model on Slakh2100, a standard dataset for musical source separation, provide qualitative results in the generation settings, and showcase competitive quantitative results in the separation setting. Our method is the first example of a single model that can handle both generation and separation tasks, thus representing a step toward general audio models.

Clustering in graphs has been a well-known research problem, particularly because most Internet and social network data is in the form of graphs. Organizations widely use spectral clustering algorithms to find clustering in graph datasets. However, applying spectral clustering to a large dataset is challenging due to computational overhead. While the distributed spectral clustering algorithm exists, they face the problem of data privacy and increased communication costs between the clients. Thus, in this paper, we propose a spectral clustering algorithm using federated learning (FL) to overcome these issues. FL is a privacy-protecting algorithm that accumulates model parameters from each local learner rather than collecting users' raw data, thus providing both scalability and data privacy. We developed two approaches: FedSpectral and FedSpectral+. FedSpectral is a baseline approach that uses local spectral clustering labels to aggregate the global spectral clustering by creating a similarity graph. FedSpectral+, a state-of-the-art approach, uses the power iteration method to learn the global spectral embedding by incorporating the entire graph data without access to the raw information distributed among the clients. We further designed our own similarity metric to check the clustering quality of the distributed approach to that of the original/non-FL clustering. The proposed approach FedSpectral+ obtained a similarity of 98.85% and 99.8%, comparable to that of global clustering on the ego-Facebook and email-Eu-core dataset.

Value decomposition methods have gradually become popular in the cooperative multi-agent reinforcement learning field. However, almost all value decomposition methods follow the Individual Global Max (IGM) principle or its variants, which restricts the range of issues that value decomposition methods can resolve. Inspired by the notion of dual self-awareness in psychology, we propose a dual self-awareness value decomposition framework that entirely rejects the IGM premise. Each agent consists of an ego policy that carries out actions and an alter ego value function that takes part in credit assignment. The value function factorization can ignore the IGM assumption by using an explicit search procedure. We also suggest a novel anti-ego exploration mechanism to avoid the algorithm becoming stuck in a local optimum. As the first fully IGM-free value decomposition method, our proposed framework achieves desirable performance in various cooperative tasks.

Recent work on designing an appropriate distribution of environments has shown promise for training effective generally capable agents. Its success is partly because of a form of adaptive curriculum learning that generates environment instances (or levels) at the frontier of the agent's capabilities. However, such an environment design framework often struggles to find effective levels in challenging design spaces and requires costly interactions with the environment. In this paper, we aim to introduce diversity in the Unsupervised Environment Design (UED) framework. Specifically, we propose a task-agnostic method to identify observed/hidden states that are representative of a given level. The outcome of this method is then utilized to characterize the diversity between two levels, which as we show can be crucial to effective performance. In addition, to improve sampling efficiency, we incorporate the self-play technique that allows the environment generator to automatically generate environments that are of great benefit to the training agent. Quantitatively, our approach, Diversity-induced Environment Design via Self-Play (DivSP), shows compelling performance over existing methods.

Major Internet advertising platforms offer budget pacing tools as a standard service for advertisers to manage their ad campaigns. Given the inherent non-stationarity in an advertiser's value and also competing advertisers' values over time, a commonly used approach is to learn a target expenditure plan that specifies a target spend as a function of time, and then run a controller that tracks this plan. This raises the question: how many historical samples are required to learn a good expenditure plan? We study this question by considering an advertiser repeatedly participating in $T$ second-price auctions, where the tuple of her value and the highest competing bid is drawn from an unknown time-varying distribution. The advertiser seeks to maximize her total utility subject to her budget constraint. Prior work has shown the sufficiency of $T\log T$ samples per distribution to achieve the optimal $O(\sqrt{T})$-regret. We dramatically improve this state-of-the-art and show that just one sample per distribution is enough to achieve the near-optimal $\tilde O(\sqrt{T})$-regret, while still being robust to noise in the sampling distributions.

Graph neural networks (GNNs) are a type of neural model that tackle graphical tasks in an end-to-end manner. Recently, GNNs have been receiving increased attention in machine learning and data mining communities because of the higher performance they achieve in various tasks, including graph classification, link prediction, and recommendation. However, the complicated dynamics of GNNs make it difficult to understand which parts of the graph features contribute more strongly to the predictions. To handle the interpretability issues, recently, various GNN explanation methods have been proposed. In this study, a flexible model agnostic explanation method is proposed to detect significant structures in graphs using the Hilbert-Schmidt independence criterion (HSIC), which captures the nonlinear dependency between two variables through kernels. More specifically, we extend the GraphLIME method for node explanation with a group lasso and a fused lasso-based node explanation method. The group and fused regularization with GraphLIME enables the interpretation of GNNs in substructure units. Then, we show that the proposed approach can be used for the explanation of sequential graph classification tasks. Through experiments, it is demonstrated that our method can identify crucial structures in a target graph in various settings.

Weight oscillation is an undesirable side effect of quantization-aware training, in which quantized weights frequently jump between two quantized levels, resulting in training instability and a sub-optimal final model. We discover that the learnable scaling factor, a widely-used $\textit{de facto}$ setting in quantization aggravates weight oscillation. In this study, we investigate the connection between the learnable scaling factor and quantized weight oscillation and use ViT as a case driver to illustrate the findings and remedies. In addition, we also found that the interdependence between quantized weights in $\textit{query}$ and $\textit{key}$ of a self-attention layer makes ViT vulnerable to oscillation. We, therefore, propose three techniques accordingly: statistical weight quantization ($\rm StatsQ$) to improve quantization robustness compared to the prevalent learnable-scale-based method; confidence-guided annealing ($\rm CGA$) that freezes the weights with $\textit{high confidence}$ and calms the oscillating weights; and $\textit{query}$-$\textit{key}$ reparameterization ($\rm QKR$) to resolve the query-key intertwined oscillation and mitigate the resulting gradient misestimation. Extensive experiments demonstrate that these proposed techniques successfully abate weight oscillation and consistently achieve substantial accuracy improvement on ImageNet. Specifically, our 2-bit DeiT-T/DeiT-S algorithms outperform the previous state-of-the-art by 9.8% and 7.7%, respectively. The code is included in the supplementary material and will be released.

Can we learn robot manipulation for everyday tasks, only by watching videos of humans doing arbitrary tasks in different unstructured settings? Unlike widely adopted strategies of learning task-specific behaviors or direct imitation of a human video, we develop a a framework for extracting agent-agnostic action representations from human videos, and then map it to the agent's embodiment during deployment. Our framework is based on predicting plausible human hand trajectories given an initial image of a scene. After training this prediction model on a diverse set of human videos from the internet, we deploy the trained model zero-shot for physical robot manipulation tasks, after appropriate transformations to the robot's embodiment. This simple strategy lets us solve coarse manipulation tasks like opening and closing drawers, pushing, and tool use, without access to any in-domain robot manipulation trajectories. Our real-world deployment results establish a strong baseline for action prediction information that can be acquired from diverse arbitrary videos of human activities, and be useful for zero-shot robotic manipulation in unseen scenes.

Backdoor attacks have emerged as one of the major security threats to deep learning models as they can easily control the model's test-time predictions by pre-injecting a backdoor trigger into the model at training time. While backdoor attacks have been extensively studied on images, few works have investigated the threat of backdoor attacks on time series data. To fill this gap, in this paper we present a novel generative approach for time series backdoor attacks against deep learning based time series classifiers. Backdoor attacks have two main goals: high stealthiness and high attack success rate. We find that, compared to images, it can be more challenging to achieve the two goals on time series. This is because time series have fewer input dimensions and lower degrees of freedom, making it hard to achieve a high attack success rate without compromising stealthiness. Our generative approach addresses this challenge by generating trigger patterns that are as realistic as real-time series patterns while achieving a high attack success rate without causing a significant drop in clean accuracy. We also show that our proposed attack is resistant to potential backdoor defenses. Furthermore, we propose a novel universal generator that can poison any type of time series with a single generator that allows universal attacks without the need to fine-tune the generative model for new time series datasets.

Deep learning has been successful in BCI decoding. However, it is very data-hungry and requires pooling data from multiple sources. EEG data from various sources decrease the decoding performance due to negative transfer. Recently, transfer learning for EEG decoding has been suggested as a remedy and become subject to recent BCI competitions (e.g. BEETL), but there are two complications in combining data from many subjects. First, privacy is not protected as highly personal brain data needs to be shared (and copied across increasingly tight information governance boundaries). Moreover, BCI data are collected from different sources and are often based on different BCI tasks, which has been thought to limit their reusability. Here, we demonstrate a federated deep transfer learning technique, the Multi-dataset Federated Separate-Common-Separate Network (MF-SCSN) based on our previous work of SCSN, which integrates privacy-preserving properties into deep transfer learning to utilise data sets with different tasks. This framework trains a BCI decoder using different source data sets obtained from different imagery tasks (e.g. some data sets with hands and feet, vs others with single hands and tongue, etc). Therefore, by introducing privacy-preserving transfer learning techniques, we unlock the reusability and scalability of existing BCI data sets. We evaluated our federated transfer learning method on the NeurIPS 2021 BEETL competition BCI task. The proposed architecture outperformed the baseline decoder by 3%. Moreover, compared with the baseline and other transfer learning algorithms, our method protects the privacy of the brain data from different data centres.

Link prediction in graphs is a task that has been widely investigated. It has been applied in various domains such as knowledge graph completion, content/item recommendation, social network recommendations and so on. The initial focus of most research was on link prediction in static graphs. However, there has recently been abundant work on modeling temporal graphs, and consequently one of the tasks that has been researched is link prediction in temporal graphs. However, most of the existing work does not focus on the order of link formation, and only predicts the existence of links. In this study, we aim to predict the order of node interactions.

Masked Language Modeling (MLM) has been one of the most prominent approaches for pretraining bidirectional text encoders due to its simplicity and effectiveness. One notable concern about MLM is that the special $\texttt{[MASK]}$ symbol causes a discrepancy between pretraining data and downstream data as it is present only in pretraining but not in fine-tuning. In this work, we offer a new perspective on the consequence of such a discrepancy: We demonstrate empirically and theoretically that MLM pretraining allocates some model dimensions exclusively for representing $\texttt{[MASK]}$ tokens, resulting in a representation deficiency for real tokens and limiting the pretrained model's expressiveness when it is adapted to downstream data without $\texttt{[MASK]}$ tokens. Motivated by the identified issue, we propose MAE-LM, which pretrains the Masked Autoencoder architecture with MLM where $\texttt{[MASK]}$ tokens are excluded from the encoder. Empirically, we show that MAE-LM improves the utilization of model dimensions for real token representations, and MAE-LM consistently outperforms MLM-pretrained models across different pretraining settings and model sizes when fine-tuned on the GLUE and SQuAD benchmarks.

In-context learning (ICL) is a type of prompting where a transformer model operates on a sequence of (input, output) examples and performs inference on-the-fly. In this work, we formalize in-context learning as an algorithm learning problem where a transformer model implicitly constructs a hypothesis function at inference-time. We first explore the statistical aspects of this abstraction through the lens of multitask learning: We obtain generalization bounds for ICL when the input prompt is (1) a sequence of i.i.d. (input, label) pairs or (2) a trajectory arising from a dynamical system. The crux of our analysis is relating the excess risk to the stability of the algorithm implemented by the transformer. We characterize when transformer/attention architecture provably obeys the stability condition and also provide empirical verification. For generalization on unseen tasks, we identify an inductive bias phenomenon in which the transfer learning risk is governed by the task complexity and the number of MTL tasks in a highly predictable manner. Finally, we provide numerical evaluations that (1) demonstrate transformers can indeed implement near-optimal algorithms on classical regression problems with i.i.d. and dynamic data, (2) provide insights on stability, and (3) verify our theoretical predictions.

Recent large-scale neural autoregressive sequence models have shown impressive performances on a variety of natural language generation tasks. However, their generated sequences often exhibit degenerate properties such as non-termination, undesirable repetition, and premature termination, when generated with decoding algorithms such as greedy search, beam search, top-$k$ sampling, and nucleus sampling. In this paper, we focus on the problem of non-terminating sequences resulting from an incomplete decoding algorithm. We first define an incomplete probable decoding algorithm which includes greedy search, top-$k$ sampling, and nucleus sampling, beyond the incomplete decoding algorithm originally put forward by Welleck et al. (2020). We then propose a non-monotonic self-terminating language model, which significantly relaxes the constraint of monotonically increasing termination probability in the originally proposed self-terminating language model by Welleck et al. (2020), to address the issue of non-terminating sequences when using incomplete probable decoding algorithms. We prove that our proposed model prevents non-terminating sequences when using not only incomplete probable decoding algorithms but also beam search. We empirically validate our model on sequence completion tasks with various architectures.

Medical image synthesis has emerged as a promising solution to address the limited availability of annotated medical data needed for training machine learning algorithms in the context of image-based Clinical Decision Support (CDS) systems. To this end, Generative Adversarial Networks (GANs) have been mainly applied to support the algorithm training process by generating synthetic images for data augmentation. However, in the field of Wireless Capsule Endoscopy (WCE), the limited content diversity and size of existing publicly available annotated datasets, adversely affect both the training stability and synthesis performance of GANs. Aiming to a viable solution for WCE image synthesis, a novel Variational Autoencoder architecture is proposed, namely "This Intestine Does not Exist" (TIDE). The proposed architecture comprises multiscale feature extraction convolutional blocks and residual connections, which enable the generation of high-quality and diverse datasets even with a limited number of training images. Contrary to the current approaches, which are oriented towards the augmentation of the available datasets, this study demonstrates that using TIDE, real WCE datasets can be fully substituted by artificially generated ones, without compromising classification performance. Furthermore, qualitative and user evaluation studies by experienced WCE specialists, validate from a medical viewpoint that both the normal and abnormal WCE images synthesized by TIDE are sufficiently realistic.

Driving in dense traffic with human and autonomous drivers is a challenging task that requires high level planning and reasoning along with the ability to react quickly to changes in a dynamic environment. In this study, we propose a hierarchical learning approach that uses learned motion primitives as actions. Motion primitives are obtained using unsupervised skill discovery without a predetermined reward function, allowing them to be reused in different scenarios. This can reduce the total training time for applications that need to obtain multiple models with varying behavior. Simulation results demonstrate that the proposed approach yields driver models that achieve higher performance with less training compared to baseline reinforcement learning methods.

Contrastive learning (CL) continuously achieves significant breakthroughs across multiple domains. However, the most common InfoNCE based methods suffer from some existing dilemmas, e.g., uniformity-tolerance dilemma (UTD) and the gradient reduction. It has been identified that UTD can lead to unexpected performance degradation. We argue that the fixity of temperature is to blame for UTD. To tackle this challenge, we enrich the CL loss family by presenting a Model-Aware Contrastive Learning (MACL) strategy, whose temperature is adaptive to the magnitude of alignment that reflects the basic confidence of the instance discrimination task, then enables CL loss to adjust the penalty strength for hard negatives adaptively. Regarding another dilemma, the gradient reduction issue, we derive the limits of an involved gradient scaling factor, which allows us to explain from a unified perspective why some recent approaches are effective with fewer negative samples, and summarily present a gradient reweighting to escape this dilemma. Extensive remarkable empirical results in vision, sentence, and graph modality validate our approach's general improvement for representation learning and downstream tasks.

We reconstruct the extra-galactic gamma-ray source-count distribution, or $dN/dS$, of resolved and unresolved sources by adopting machine learning techniques. Specifically, we train a convolutional neural network on synthetic 2-dimensional sky-maps, which are built by varying parameters of underlying source-counts models and incorporate the Fermi-LAT instrumental response functions. The trained neural network is then applied to the Fermi-LAT data, from which we estimate the source count distribution down to flux levels a factor of 50 below the Fermi-LAT threshold. We perform our analysis using 14 years of data collected in the $(1,10)$ GeV energy range. The results we obtain show a source count distribution which, in the resolved regime, is in excellent agreement with the one derived from catalogued sources, and then extends as $dN/dS \sim S^{-2}$ in the unresolved regime, down to fluxes of $5 \cdot 10^{-12}$ cm$^{-2}$ s$^{-1}$. The neural network architecture and the devised methodology have the flexibility to enable future analyses to study the energy dependence of the source-count distribution.

This work studies the pure-exploration setting for the convex hull feasibility (CHF) problem where one aims to efficiently and accurately determine if a given point lies in the convex hull of means of a finite set of distributions. We give a complete characterization of the sample complexity of the CHF problem in the one-dimensional setting. We present the first asymptotically optimal algorithm called Thompson-CHF, whose modular design consists of a stopping rule and a sampling rule. In addition, we provide an extension of the algorithm that generalizes several important problems in the multi-armed bandit literature. Finally, we further investigate the Gaussian bandit case with unknown variances and address how the Thompson-CHF algorithm can be adjusted to be asymptotically optimal in this setting.

In recent years, multiple notions of algorithmic fairness have arisen. One such notion is individual fairness (IF), which requires that individuals who are similar receive similar treatment. In parallel, matrix estimation (ME) has emerged as a natural paradigm for handling noisy data with missing values. In this work, we connect the two concepts. We show that pre-processing data using ME can improve an algorithm's IF without sacrificing performance. Specifically, we show that using a popular ME method known as singular value thresholding (SVT) to pre-process the data provides a strong IF guarantee under appropriate conditions. We then show that, under analogous conditions, SVT pre-processing also yields estimates that are consistent and approximately minimax optimal. As such, the ME pre-processing step does not, under the stated conditions, increase the prediction error of the base algorithm, i.e., does not impose a fairness-performance trade-off. We verify these results on synthetic and real data.

As an emerging technique, vertical federated learning collaborates with different data sources to jointly train a machine learning model without data exchange. However, federated learning is computationally expensive and inefficient in modeling due to complex encryption algorithms and secure computation protocols. Split learning offers an alternative solution to circumvent these challenges. Despite this, vanilla split learning still suffers privacy leakage. Here, we propose the Generative Adversarial Federated Model (GAFM), which integrates the vanilla split learning framework with the Generative Adversarial Network (GAN) for protection against label leakage from gradients in binary classification tasks. We compare our proposal to existing models, including Marvell, Max Norm, and SplitNN, on three publicly available datasets, where GAFM shows significant improvement regarding the trade-off between classification accuracy and label privacy protection. We also provide heuristic justification for why GAFM can improve over baselines and demonstrate that GAFM offers label protection through gradient perturbation compared to SplitNN.

The stochastic heavy ball method (SHB), also known as stochastic gradient descent (SGD) with Polyak's momentum, is widely used in training neural networks. However, despite the remarkable success of such algorithm in practice, its theoretical characterization remains limited. In this paper, we focus on neural networks with two and three layers and provide a rigorous understanding of the properties of the solutions found by SHB: \emph{(i)} stability after dropping out part of the neurons, \emph{(ii)} connectivity along a low-loss path, and \emph{(iii)} convergence to the global optimum. To achieve this goal, we take a mean-field view and relate the SHB dynamics to a certain partial differential equation in the limit of large network widths. This mean-field perspective has inspired a recent line of work focusing on SGD while, in contrast, our paper considers an algorithm with momentum. More specifically, after proving existence and uniqueness of the limit differential equations, we show convergence to the global optimum and give a quantitative bound between the mean-field limit and the SHB dynamics of a finite-width network. Armed with this last bound, we are able to establish the dropout-stability and connectivity of SHB solutions.

The rise of generalist large-scale models in natural language and vision has made us expect that a massive data-driven approach could achieve broader generalization in other domains such as continuous control. In this work, we explore a method for learning a single policy that manipulates various forms of agents to solve various tasks by distilling a large amount of proficient behavioral data. In order to align input-output (IO) interface among multiple tasks and diverse agent morphologies while preserving essential 3D geometric relations, we introduce morphology-task graph, which treats observations, actions and goals/task in a unified graph representation. We also develop MxT-Bench for fast large-scale behavior generation, which supports procedural generation of diverse morphology-task combinations with a minimal blueprint and hardware-accelerated simulator. Through efficient representation and architecture selection on MxT-Bench, we find out that a morphology-task graph representation coupled with Transformer architecture improves the multi-task performances compared to other baselines including recent discrete tokenization, and provides better prior knowledge for zero-shot transfer or sample efficiency in downstream multi-task imitation learning. Our work suggests large diverse offline datasets, unified IO representation, and policy representation and architecture selection through supervised learning form a promising approach for studying and advancing morphology-task generalization.

Self-supervised learning is a popular and powerful method for utilizing large amounts of unlabeled data, for which a wide variety of training objectives have been proposed in the literature. In this study, we perform a Bayesian analysis of state-of-the-art self-supervised learning objectives and propose a unified formulation based on likelihood learning. Our analysis suggests a simple method for integrating self-supervised learning with generative models, allowing for the joint training of these two seemingly distinct approaches. We refer to this combined framework as GEDI, which stands for GEnerative and DIscriminative training. Additionally, we demonstrate an instantiation of the GEDI framework by integrating an energy-based model with a cluster-based self-supervised learning model. Through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, we show that GEDI outperforms existing self-supervised learning strategies in terms of clustering performance by a wide margin. We also demonstrate that GEDI can be integrated into a neural-symbolic framework to address tasks in the small data regime, where it can use logical constraints to further improve clustering and classification performance.

Deep learning techniques with neural networks have been used effectively in computational fluid dynamics (CFD) to obtain solutions to nonlinear differential equations. This paper presents a physics-informed neural network (PINN) approach to solve the Blasius function. This method eliminates the process of changing the non-linear differential equation to an initial value problem. Also, it tackles the convergence issue arising in the conventional series solution. It is seen that this method produces results that are at par with the numerical and conventional methods. The solution is extended to the negative axis to show that PINNs capture the singularity of the function at $\eta=-5.69$

Multimodal learning has been a field of increasing interest, aiming to combine various modalities in a single joint representation. Especially in the area of visiolinguistic (VL) learning multiple models and techniques have been developed, targeting a variety of tasks that involve images and text. VL models have reached unprecedented performances by extending the idea of Transformers, so that both modalities can learn from each other. Massive pre-training procedures enable VL models to acquire a certain level of real-world understanding, although many gaps can be identified: the limited comprehension of commonsense, factual, temporal and other everyday knowledge aspects questions the extendability of VL tasks. Knowledge graphs and other knowledge sources can fill those gaps by explicitly providing missing information, unlocking novel capabilities of VL models. In the same time, knowledge graphs enhance explainability, fairness and validity of decision making, issues of outermost importance for such complex implementations. The current survey aims to unify the fields of VL representation learning and knowledge graphs, and provides a taxonomy and analysis of knowledge-enhanced VL models.

In mining, grade control generally focuses on blast hole sampling and the estimation of ore control block models with little or no attention given to how the materials are being excavated from the ground. In the process of loading trucks, the underlying variability of the individual bucket load will determine the variability of truck payload. Hence, accurate material movement demands a good knowledge of the excavation process and the buckets interaction with the environment. However, equipment frequently goes into off nominal states due to unexpected delays, disturbances or faults. The large amount of such disturbances causes information loss that reduces the statistical power and biases estimates, leading to increased uncertainty in the production. A reliable method that inferences the missing knowledge about the interaction between the machine and the environment from the available data sources, is vital to accurately model the material movement. In this study, a twostep method was implemented that performed unsupervised clustering and then predicted the missing information. The first method is DBSCAN based spatial clustering which divides the diggers and buckets positional data into connected loading segments. Clear patterns of segmented bucket dig positions were observed. The second model utilized Gaussian process regression which was trained with the clustered data and the model was then used to infer the mean locations of the test clusters. Bucket dig locations were then simulated at the inferred mean locations for different durations and compared against the known bucket dig locations. This method was tested at an open pit mine in the Pilbara of Western Australia. The results demonstrate the advantage of the proposed method in inferencing the missing information of bucket environment interactions and therefore enables miners to continuously track the material movement.

Despite the state-of-the-art performance of deep convolutional neural networks, they are susceptible to bias and malfunction in unseen situations. The complex computation behind their reasoning is not sufficiently human-understandable to develop trust. External explainer methods have tried to interpret the network decisions in a human-understandable way, but they are accused of fallacies due to their assumptions and simplifications. On the other side, the inherent self-interpretability of models, while being more robust to the mentioned fallacies, cannot be applied to the already trained models. In this work, we propose a new attention-based pooling layer, called Local Attention Pooling (LAP), that accomplishes self-interpretability and the possibility for knowledge injection while improving the model's performance. Moreover, several weakly-supervised knowledge injection methodologies are provided to enhance the process of training. We verified our claims by evaluating several LAP-extended models on three different datasets, including Imagenet. The proposed framework offers more valid human-understandable and more faithful-to-the-model interpretations than the commonly used white-box explainer methods.

Purpose: Most computer vision models are developed based on either convolutional neural network (CNN) or transformer, while the former (latter) method captures local (global) features. To relieve model performance limitations due to the lack of global (local) features, we develop a novel classification network named CECT by controllable ensemble CNN and transformer. Methods: The proposed CECT is composed of a CNN-based encoder block, a deconvolution-ensemble decoder block, and a transformer-based classification block. Different from conventional CNN- or transformer-based methods, our CECT can capture features at both multi-local and global scales, and the contribution of local features at different scales can be controlled with the proposed ensemble coefficients. Results: We evaluate CECT on two public COVID-19 datasets and it outperforms other state-of-the-art methods on all evaluation metrics. Conclusion: With remarkable feature capture ability, we believe CECT can also be used in other medical image classification scenarios to assist the diagnosis.

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains highly incomplete in the context of knowledge graphs. The goal of this work is to provide a systematic understanding of the landscape of graph neural networks for knowledge graphs pertaining the prominent task of link prediction. Our analysis entails a unifying perspective on seemingly unrelated models, and unlocks a series of other models. The expressive power of various models is characterized via a corresponding relational Weisfeiler-Leman algorithm with different initialization regimes. This analysis is extended to provide a precise logical characterization of the class of functions captured by a class of graph neural networks. Our theoretical findings explain the benefits of some widely employed practical design choices, which are validated empirically.

Uncertainty quantification of machine learning and deep learning methods plays an important role in enhancing trust to the obtained result. In recent years, a numerous number of uncertainty quantification methods have been introduced. Monte Carlo dropout (MC-Dropout) is one of the most well-known techniques to quantify uncertainty in deep learning methods. In this study, we propose two new loss functions by combining cross entropy with Expected Calibration Error (ECE) and Predictive Entropy (PE). The obtained results clearly show that the new proposed loss functions lead to having a calibrated MC-Dropout method. Our results confirmed the great impact of the new hybrid loss functions for minimising the overlap between the distributions of uncertainty estimates for correct and incorrect predictions without sacrificing the model's overall performance.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [1, 2]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian and we cluster vertices via a modified K-means algorithm, using a new vector-valued distance in the embedding space. Main novelty of our method, which can be classified as an early fusion method, i.e., a method in which additional information on vertices are fused to the structure information before applying clustering, is the interpretation of attributes as new realizations of graph vertices, which can be dealt with as coordinate vectors in a related Euclidean space. This allows us to extend a scalable generalized spectral clustering procedure which substitutes graph Laplacian eigenvectors with some vectors, named algebraically smooth vectors, obtained by a linear-time complexity Algebraic MultiGrid (AMG) method. We discuss the performance of our proposed clustering method by comparison with recent literature approaches and public available results. Extensive experiments on different types of synthetic datasets and real-world attributed graphs show that our new algorithm, embedding attributes information in the clustering, outperforms structure-only-based methods, when the attributed network has an ambiguous structure. Furthermore, our new method largely outperforms the method which originally proposed the graph augmentation, showing that our embedding strategy and vector-valued distance are very effective in taking advantages from the augmented-graph representation.

Standard approaches to decision-making under uncertainty focus on sequential exploration of the space of decisions. However, \textit{simultaneously} proposing a batch of decisions, which leverages available resources for parallel experimentation, has the potential to rapidly accelerate exploration. We present a family of (parallel) contextual bandit algorithms applicable to problems with bounded eluder dimension whose regret is nearly identical to their perfectly sequential counterparts -- given access to the same total number of oracle queries -- up to a lower-order ``burn-in" term. We further show these algorithms can be specialized to the class of linear reward functions where we introduce and analyze several new linear bandit algorithms which explicitly introduce diversity into their action selection. Finally, we also present an empirical evaluation of these parallel algorithms in several domains, including materials discovery and biological sequence design problems, to demonstrate the utility of parallelized bandits in practical settings.

Recently, Graph Neural Networks (GNNs) achieve remarkable success in Recommendation. To reduce the influence of data sparsity, Graph Contrastive Learning (GCL) is adopted in GNN-based CF methods for enhancing performance. Most GCL methods consist of data augmentation and contrastive loss (e.g., InfoNCE). GCL methods construct the contrastive pairs by hand-crafted graph augmentations and maximize the agreement between different views of the same node compared to that of other nodes, which is known as the InfoMax principle. However, improper data augmentation will hinder the performance of GCL. InfoMin principle, that the good set of views shares minimal information and gives guidelines to design better data augmentation. In this paper, we first propose a new data augmentation (i.e., edge-operating including edge-adding and edge-dropping). Then, guided by InfoMin principle, we propose a novel theoretical guiding contrastive learning framework, named Learnable Data Augmentation for Graph Contrastive Learning (LDA-GCL). Our methods include data augmentation learning and graph contrastive learning, which follow the InfoMin and InfoMax principles, respectively. In implementation, our methods optimize the adversarial loss function to learn data augmentation and effective representations of users and items. Extensive experiments on four public benchmark datasets demonstrate the effectiveness of LDA-GCL.

Text autoencoders are often used for unsupervised conditional text generation by applying mappings in the latent space to change attributes to the desired values. Recently, Mai et al. (2020) proposed Emb2Emb, a method to learn these mappings in the embedding space of an autoencoder. However, their method is restricted to autoencoders with a single-vector embedding, which limits how much information can be retained. We address this issue by extending their method to Bag-of-Vectors Autoencoders (BoV-AEs), which encode the text into a variable-size bag of vectors that grows with the size of the text, as in attention-based models. This allows to encode and reconstruct much longer texts than standard autoencoders. Analogous to conventional autoencoders, we propose regularization techniques that facilitate learning meaningful operations in the latent space. Finally, we adapt Emb2Emb for a training scheme that learns to map an input bag to an output bag, including a novel loss function and neural architecture. Our empirical evaluations on unsupervised sentiment transfer show that our method performs substantially better than a standard autoencoder.

Statistical risk assessments inform consequential decisions, such as pretrial release in criminal justice and loan approvals in consumer finance, by counterfactually predicting an outcome under a proposed decision (e.g., would the applicant default if we approved this loan?). There may, however, have been unmeasured confounders that jointly affected decisions and outcomes in the historical data. We propose a mean outcome sensitivity model that bounds the extent to which unmeasured confounders could affect outcomes on average. The mean outcome sensitivity model partially identifies the conditional likelihood of the outcome under the proposed decision, popular predictive performance metrics, and predictive disparities. We derive their identified sets and develop procedures for the confounding-robust learning and evaluation of statistical risk assessments. We propose a nonparametric regression procedure for the bounds on the conditional likelihood of the outcome under the proposed decision, and estimators for the bounds on predictive performance and disparities. Applying our methods to a real-world credit-scoring task, we show how varying assumptions on unmeasured confounding lead to substantive changes in the credit score's predictions and evaluations of its predictive disparities.

The recipe behind the success of deep learning has been the combination of neural networks and gradient-based optimization. Understanding the behavior of gradient descent however, and particularly its instability, has lagged behind its empirical success. To add to the theoretical tools available to study gradient descent we propose the principal flow (PF), a continuous time flow that approximates gradient descent dynamics. To our knowledge, the PF is the only continuous flow that captures the divergent and oscillatory behaviors of gradient descent, including escaping local minima and saddle points. Through its dependence on the eigendecomposition of the Hessian the PF sheds light on the recently observed edge of stability phenomena in deep learning. Using our new understanding of instability we propose a learning rate adaptation method which enables us to control the trade-off between training stability and test set evaluation performance.

The tensor data recovery task has thus attracted much research attention in recent years. Solving such an ill-posed problem generally requires to explore intrinsic prior structures underlying tensor data, and formulate them as certain forms of regularization terms for guiding a sound estimate of the restored tensor. Recent research have made significant progress by adopting two insightful tensor priors, i.e., global low-rankness (L) and local smoothness (S) across different tensor modes, which are always encoded as a sum of two separate regularization terms into the recovery models. However, unlike the primary theoretical developments on low-rank tensor recovery, these joint L+S models have no theoretical exact-recovery guarantees yet, making the methods lack reliability in real practice. To this crucial issue, in this work, we build a unique regularization term, which essentially encodes both L and S priors of a tensor simultaneously. Especially, by equipping this single regularizer into the recovery models, we can rigorously prove the exact recovery guarantees for two typical tensor recovery tasks, i.e., tensor completion (TC) and tensor robust principal component analysis (TRPCA). To the best of our knowledge, this should be the first exact-recovery results among all related L+S methods for tensor recovery. Significant recovery accuracy improvements over many other SOTA methods in several TC and TRPCA tasks with various kinds of visual tensor data are observed in extensive experiments. Typically, our method achieves a workable performance when the missing rate is extremely large, e.g., 99.5%, for the color image inpainting task, while all its peers totally fail in such challenging case.

We consider the problem of preference based reinforcement learning (PbRL), where, unlike traditional reinforcement learning, an agent receives feedback only in terms of a 1 bit (0/1) preference over a trajectory pair instead of absolute rewards for them. The success of the traditional RL framework crucially relies on the underlying agent-reward model, which, however, depends on how accurately a system designer can express an appropriate reward function and often a non-trivial task. The main novelty of our framework is the ability to learn from preference-based trajectory feedback that eliminates the need to hand-craft numeric reward models. This paper sets up a formal framework for the PbRL problem with non-markovian rewards, where the trajectory preferences are encoded by a generalized linear model of dimension $d$. Assuming the transition model is known, we then propose an algorithm with almost optimal regret guarantee of $\tilde {\mathcal{O}}\left( SH d \log (T / \delta) \sqrt{T} \right)$. We further, extend the above algorithm to the case of unknown transition dynamics, and provide an algorithm with near optimal regret guarantee $\widetilde{\mathcal{O}}((\sqrt{d} + H^2 + |\mathcal{S}|)\sqrt{dT} +\sqrt{|\mathcal{S}||\mathcal{A}|TH} )$. To the best of our knowledge, our work is one of the first to give tight regret guarantees for preference based RL problems with trajectory preferences.

The rapid progress in technology innovation usage and distribution has increased in the last decade. The rapid growth of the Internet of Things (IoT) systems worldwide has increased network security challenges created by malicious third parties. Thus, reliable intrusion detection and network forensics systems that consider security concerns and IoT systems limitations are essential to protect such systems. IoT botnet attacks are one of the significant threats to enterprises and individuals. Thus, this paper proposed an economic deep learning-based model for detecting IoT botnet attacks along with different types of attacks. The proposed model achieved higher accuracy than the state-of-the-art detection models using a smaller implementation budget and accelerating the training and detecting processes.

Radio Access Networks (RANs) for telecommunications represent large agglomerations of interconnected hardware consisting of hundreds of thousands of transmitting devices (cells). Such networks undergo frequent and often heterogeneous changes caused by network operators, who are seeking to tune their system parameters for optimal performance. The effects of such changes are challenging to predict and will become even more so with the adoption of 5G/6G networks. Therefore, RAN monitoring is vital for network operators. We propose a self-supervised learning framework that leverages self-attention and self-distillation for this task. It works by detecting changes in Performance Measurement data, a collection of time-varying metrics which reflect a set of diverse measurements of the network performance at the cell level. Experimental results show that our approach outperforms the state of the art by 4% on a real-world based dataset consisting of about hundred thousands timeseries. It also has the merits of being scalable and generalizable. This allows it to provide deep insight into the specifics of mode of operation changes while relying minimally on expert knowledge.

We tackle the problem of joint frequency and power allocation while emphasizing the generalization capability of a deep reinforcement learning model. Most of the existing methods solve reinforcement learning-based wireless problems for a specific pre-determined wireless network scenario. The performance of a trained agent tends to be very specific to the network and deteriorates when used in a different network operating scenario (e.g., different in size, neighborhood, and mobility, among others). We demonstrate our approach to enhance training to enable a higher generalization capability during inference of the deployed model in a distributed multi-agent setting in a hostile jamming environment. With all these, we show the improved training and inference performance of the proposed methods when tested on previously unseen simulated wireless networks of different sizes and architectures. More importantly, to prove practical impact, the end-to-end solution was implemented on the embedded software-defined radio and validated using over-the-air evaluation.

We study counterfactual identifiability in causal models with bijective generation mechanisms (BGM), a class that generalizes several widely-used causal models in the literature. We establish their counterfactual identifiability for three common causal structures with unobserved confounding, and propose a practical learning method that casts learning a BGM as structured generative modeling. Learned BGMs enable efficient counterfactual estimation and can be obtained using a variety of deep conditional generative models. We evaluate our techniques in a visual task and demonstrate its application in a real-world video streaming simulation task.

Meta-forecasting is a newly emerging field which combines meta-learning and time series forecasting. The goal of meta-forecasting is to train over a collection of source time series and generalize to new time series one-at-a-time. Previous approaches in meta-forecasting achieve competitive performance, but with the restriction of training a separate model for each sampling frequency. In this work, we investigate meta-forecasting over different sampling frequencies, and introduce a new model, the Continuous Frequency Adapter (CFA), specifically designed to learn frequency-invariant representations. We find that CFA greatly improves performance when generalizing to unseen frequencies, providing a first step towards forecasting over larger multi-frequency datasets.

The proliferation of global censorship has led to the development of a plethora of measurement platforms to monitor and expose it. Censorship of the domain name system (DNS) is a key mechanism used across different countries. It is currently detected by applying heuristics to samples of DNS queries and responses (probes) for specific destinations. These heuristics, however, are both platform-specific and have been found to be brittle when censors change their blocking behavior, necessitating a more reliable automated process for detecting censorship. In this paper, we explore how machine learning (ML) models can (1) help streamline the detection process, (2) improve the usability of large-scale datasets for censorship detection, and (3) discover new censorship instances and blocking signatures missed by existing heuristic methods. Our study shows that supervised models, trained using expert-derived labels on instances of known anomalies and possible censorship, can learn the detection heuristics employed by different measurement platforms. More crucially, we find that unsupervised models, trained solely on uncensored instances, can identify new instances and variations of censorship missed by existing heuristics. Moreover, both methods demonstrate the capability to uncover a substantial number of new DNS blocking signatures, i.e., injected fake IP addresses overlooked by existing heuristics. These results are underpinned by an important methodological finding: comparing the outputs of models trained using the same probes but with labels arising from independent processes allows us to more reliably detect cases of censorship in the absence of ground-truth labels of censorship.

Knowledge distillation is a learning paradigm for boosting resource-efficient graph neural networks (GNNs) using more expressive yet cumbersome teacher models. Past work on distillation for GNNs proposed the Local Structure Preserving loss (LSP), which matches local structural relationships defined over edges across the student and teacher's node embeddings. This paper studies whether preserving the global topology of how the teacher embeds graph data can be a more effective distillation objective for GNNs, as real-world graphs often contain latent interactions and noisy edges. We propose Graph Contrastive Representation Distillation (G-CRD), which uses contrastive learning to implicitly preserve global topology by aligning the student node embeddings to those of the teacher in a shared representation space. Additionally, we introduce an expanded set of benchmarks on large-scale real-world datasets where the performance gap between teacher and student GNNs is non-negligible. Experiments across 4 datasets and 14 heterogeneous GNN architectures show that G-CRD consistently boosts the performance and robustness of lightweight GNNs, outperforming LSP (and a global structure preserving variant of LSP) as well as baselines from 2D computer vision. An analysis of the representational similarity among teacher and student embedding spaces reveals that G-CRD balances preserving local and global relationships, while structure preserving approaches are best at preserving one or the other. Our code is available at https://github.com/chaitjo/efficient-gnns

This paper investigates Support Vector Regression (SVR) in the context of the fundamental risk quadrangle paradigm. It is shown that both formulations of SVR, $\varepsilon$-SVR and $\nu$-SVR, correspond to the minimization of equivalent regular error measures (Vapnik error and superquantile (CVaR) norm, respectively) with a regularization penalty. These error measures, in turn, give rise to corresponding risk quadrangles. By constructing the fundamental risk quadrangle, which corresponds to SVR, we show that SVR is the asymptotically unbiased estimator of the average of two symmetric conditional quantiles. Furthermore, the technique used for the construction of quadrangles serves as a powerful tool in proving the equivalence between $\varepsilon$-SVR and $\nu$-SVR. Additionally, SVR is formulated as a regular deviation minimization problem with a regularization penalty by invoking Error Shaping Decomposition of Regression and the dual formulation of SVR in the risk quadrangle framework is derived.

Normalizing Flows (NF) are Generative models which are particularly robust and allow for exact sampling of the learned distribution. They however require the design of an invertible mapping, whose Jacobian determinant has to be computable. Recently introduced, Neural Hamiltonian Flows (NHF) are based on Hamiltonian dynamics-based Flows, which are continuous, volume-preserving and invertible and thus make for natural candidates for robust NF architectures. In particular, their similarity to classical Mechanics could lead to easier interpretability of the learned mapping. However, despite being Physics-inspired architectures, the originally introduced NHF architecture still poses a challenge to interpretability. For this reason, in this work, we introduce a fixed kinetic energy version of the NHF model. Inspired by physics, our approach improves interpretability and requires less parameters than previously proposed architectures. We then study the robustness of the NHF architectures to the choice of hyperparameters. We analyze the impact of the number of leapfrog steps, the integration time and the number of neurons per hidden layer, as well as the choice of prior distribution, on sampling a multimodal 2D mixture. The NHF architecture is robust to these choices, especially the fixed-kinetic energy model. Finally, we adapt NHF to the context of Bayesian inference and illustrate our method on sampling the posterior distribution of two cosmological parameters knowing type Ia supernovae observations.

There has been much recent progress in forecasting the next observation of a linear dynamical system (LDS), which is known as the improper learning, as well as in the estimation of its system matrices, which is known as the proper learning of LDS. We present an approach to proper learning of LDS, which in spite of the non-convexity of the problem, guarantees global convergence of numerical solutions to a least-squares estimator. We present promising computational results.  ( 2 min )

Recent studies indicate that kernel machines can often perform similarly or better than deep neural networks (DNNs) on small datasets. The interest in kernel machines has been additionally bolstered by the discovery of their equivalence to wide neural networks in certain regimes. However, a key feature of DNNs is their ability to scale the model size and training data size independently, whereas in traditional kernel machines model size is tied to data size. Because of this coupling, scaling kernel machines to large data has been computationally challenging. In this paper, we provide a way forward for constructing large-scale general kernel models, which are a generalization of kernel machines that decouples the model and data, allowing training on large datasets. Specifically, we introduce EigenPro 3.0, an algorithm based on projected dual preconditioned SGD and show scaling to model and data sizes which have not been possible with existing kernel methods.  ( 2 min )

Parameter inference, i.e. inferring the posterior distribution of the parameters of a statistical model given some data, is a central problem to many scientific disciplines. Posterior inference with generative models is an alternative to methods such as Markov Chain Monte Carlo, both for likelihood-based and simulation-based inference. However, assessing the accuracy of posteriors encoded in generative models is not straightforward. In this paper, we introduce `distance to random point' (DRP) coverage testing as a method to estimate coverage probabilities of generative posterior estimators. Our method differs from previously-existing coverage-based methods, which require posterior evaluations. We prove that our approach is necessary and sufficient to show that a posterior estimator is optimal. We demonstrate the method on a variety of synthetic examples, and show that DRP can be used to test the results of posterior inference analyses in high-dimensional spaces. We also show that our method can detect non-optimal inferences in cases where existing methods fail.  ( 2 min )

An old problem in multivariate statistics is that linear Gaussian models are often unidentifiable, i.e. some parameters cannot be uniquely estimated. In factor analysis, an orthogonal rotation of the factors is unidentifiable, while in linear regression, the direction of effect cannot be identified. For such linear models, non-Gaussianity of the (latent) variables has been shown to provide identifiability. In the case of factor analysis, this leads to independent component analysis, while in the case of the direction of effect, non-Gaussian versions of structural equation modelling solve the problem. More recently, we have shown how even general nonparametric nonlinear versions of such models can be estimated. Non-Gaussianity is not enough in this case, but assuming we have time series, or that the distributions are suitably modulated by some observed auxiliary variables, the models are identifiable. This paper reviews the identifiability theory for the linear and nonlinear cases, considering both factor analytic models and structural equation models.

We study counterfactual identifiability in causal models with bijective generation mechanisms (BGM), a class that generalizes several widely-used causal models in the literature. We establish their counterfactual identifiability for three common causal structures with unobserved confounding, and propose a practical learning method that casts learning a BGM as structured generative modeling. Learned BGMs enable efficient counterfactual estimation and can be obtained using a variety of deep conditional generative models. We evaluate our techniques in a visual task and demonstrate its application in a real-world video streaming simulation task.

Graph neural networks (GNNs) are a type of neural model that tackle graphical tasks in an end-to-end manner. Recently, GNNs have been receiving increased attention in machine learning and data mining communities because of the higher performance they achieve in various tasks, including graph classification, link prediction, and recommendation. However, the complicated dynamics of GNNs make it difficult to understand which parts of the graph features contribute more strongly to the predictions. To handle the interpretability issues, recently, various GNN explanation methods have been proposed. In this study, a flexible model agnostic explanation method is proposed to detect significant structures in graphs using the Hilbert-Schmidt independence criterion (HSIC), which captures the nonlinear dependency between two variables through kernels. More specifically, we extend the GraphLIME method for node explanation with a group lasso and a fused lasso-based node explanation method. The group and fused regularization with GraphLIME enables the interpretation of GNNs in substructure units. Then, we show that the proposed approach can be used for the explanation of sequential graph classification tasks. Through experiments, it is demonstrated that our method can identify crucial structures in a target graph in various settings.

Knowledge distillation is a learning paradigm for boosting resource-efficient graph neural networks (GNNs) using more expressive yet cumbersome teacher models. Past work on distillation for GNNs proposed the Local Structure Preserving loss (LSP), which matches local structural relationships defined over edges across the student and teacher's node embeddings. This paper studies whether preserving the global topology of how the teacher embeds graph data can be a more effective distillation objective for GNNs, as real-world graphs often contain latent interactions and noisy edges. We propose Graph Contrastive Representation Distillation (G-CRD), which uses contrastive learning to implicitly preserve global topology by aligning the student node embeddings to those of the teacher in a shared representation space. Additionally, we introduce an expanded set of benchmarks on large-scale real-world datasets where the performance gap between teacher and student GNNs is non-negligible. Experiments across 4 datasets and 14 heterogeneous GNN architectures show that G-CRD consistently boosts the performance and robustness of lightweight GNNs, outperforming LSP (and a global structure preserving variant of LSP) as well as baselines from 2D computer vision. An analysis of the representational similarity among teacher and student embedding spaces reveals that G-CRD balances preserving local and global relationships, while structure preserving approaches are best at preserving one or the other. Our code is available at https://github.com/chaitjo/efficient-gnns

Estimating causal effects from large experimental and observational data has become increasingly prevalent in both industry and research. The bootstrap is an intuitive and powerful technique used to construct standard errors and confidence intervals of estimators. Its application however can be prohibitively demanding in settings involving large data. In addition, modern causal inference estimators based on machine learning and optimization techniques exacerbate the computational burden of the bootstrap. The bag of little bootstraps has been proposed in non-causal settings for large data but has not yet been applied to evaluate the properties of estimators of causal effects. In this paper, we introduce a new bootstrap algorithm called causal bag of little bootstraps for causal inference with large data. The new algorithm significantly improves the computational efficiency of the traditional bootstrap while providing consistent estimates and desirable confidence interval coverage. We describe its properties, provide practical considerations, and evaluate the performance of the proposed algorithm in terms of bias, coverage of the true 95% confidence intervals, and computational time in a simulation study. We apply it in the evaluation of the effect of hormone therapy on the average time to coronary heart disease using a large observational data set from the Women's Health Initiative.

In offline model-based optimisation (MBO) we are interested in using machine learning to design candidates that maximise some measure of desirability through an expensive but real-world scoring process. Offline MBO tries to approximate this expensive scoring function and use that to evaluate generated designs, however evaluation is non-exact because one approximation is being evaluated with another. Instead, we ask ourselves: if we did have the real world scoring function at hand, what cheap-to-compute validation metrics would correlate best with this? Since the real-world scoring function is available for simulated MBO datasets, insights obtained from this can be transferred over to real-world offline MBO tasks where the real-world scoring function is expensive to compute. To address this, we propose a conceptual evaluation framework that is amenable to measuring extrapolation, and apply this to conditional denoising diffusion models. Empirically, we find that two validation metrics -- agreement and Frechet distance -- correlate quite well with the ground truth. When there is high variability in conditional generation, feedback is required in the form of an approximated version of the real-world scoring function. Furthermore, we find that generating high-scoring samples may require heavily weighting the generative model in favour of sample quality, potentially at the cost of sample diversity.

We study nonparametric density estimation in non-stationary drift settings. Given a sequence of independent samples taken from a distribution that gradually changes in time, the goal is to compute the best estimate for the current distribution. We prove tight minimax risk bounds for both discrete and continuous smooth densities, where the minimum is over all possible estimates and the maximum is over all possible distributions that satisfy the drift constraints. Our technique handles a broad class of drift models, and generalizes previous results on agnostic learning under drift.

We consider transfer learning approaches that fine-tune a pretrained deep neural network on a target task. We study the generalization properties of fine-tuning to understand the problem of overfitting, which commonly occurs in practice. Previous works have shown that constraining the distance from the initialization of fine-tuning improves generalization. Using a PAC-Bayesian analysis, we observe that besides distance from initialization, Hessians affect generalization through the noise stability of deep neural networks against noise injections. Motivated by the observation, we develop Hessian distance-based generalization bounds for a wide range of fine-tuning methods. Additionally, we study the robustness of fine-tuning in the presence of noisy labels. We design an algorithm incorporating consistent losses and distance-based regularization for fine-tuning, along with a generalization error guarantee under class conditional independent noise in the training set labels. We perform a detailed empirical study of our algorithm on various noisy environments and architectures. On six image classification tasks whose training labels are generated with programmatic labeling, we find a 3.26% accuracy gain over prior fine-tuning methods. Meanwhile, the Hessian distance measure of the fine-tuned model decreases by six times more than existing approaches.

This paper studies the algorithmic stability and generalizability of decentralized stochastic gradient descent (D-SGD). We prove that the consensus model learned by D-SGD is $\mathcal{O}{(N^{-1}+m^{-1} +\lambda^2)}$-stable in expectation in the non-convex non-smooth setting, where $N$ is the total sample size, $m$ is the worker number, and $1+\lambda$ is the spectral gap that measures the connectivity of the communication topology. These results then deliver an $\mathcal{O}{(N^{-(1+\alpha)/2}+ m^{-(1+\alpha)/2}+\lambda^{1+\alpha} + \phi_{\mathcal{S}})}$ in-average generalization bound, which is non-vacuous even when $\lambda$ is closed to $1$, in contrast to vacuous as suggested by existing literature on the projected version of D-SGD. Our theory indicates that the generalizability of D-SGD is positively correlated with the spectral gap, and can explain why consensus control in initial training phase can ensure better generalization. Experiments of VGG-11 and ResNet-18 on CIFAR-10, CIFAR-100 and Tiny-ImageNet justify our theory. To our best knowledge, this is the first work on the topology-aware generalization of vanilla D-SGD. Code is available at https://github.com/Raiden-Zhu/Generalization-of-DSGD.

Laplacian eigenvectors capture natural community structures on graphs and are widely used in spectral clustering and manifold learning. The use of Laplacian eigenvectors as embeddings for the purpose of multiscale graph comparison has however been limited. Here we propose the Embedded Laplacian Discrepancy (ELD) as a simple and fast approach to compare graphs (of potentially different sizes) based on the similarity of the graphs' community structures. The ELD operates by representing graphs as point clouds in a common, low-dimensional space, on which a natural Wasserstein-based distance can be efficiently computed. A main challenge in comparing graphs through any eigenvector-based approaches is the potential ambiguity that could arise due to sign-flips and basis symmetries. The ELD leverages a simple symmetrization trick to bypass any sign ambiguities. For comparing graphs that do not have any ambiguities due to basis symmetries (i.e. the spectrums are simple), we show that the ELD becomes a natural pseudo-metric that enjoys nice properties such as invariance under graph isomorphism. For comparing graphs with non-simple spectrums, we propose a procedure to approximate the ELD via a simple perturbation technique to resolve any ambiguity from basis symmetries. We show that such perturbations are stable using matrix perturbation theory under mild assumptions that are straightforward to verify in practice. We demonstrate the excellent applicability of the ELD approach on both simulated and real datasets.

Providing generalization guarantees for modern neural networks has been a crucial task in statistical learning. Recently, several studies have attempted to analyze the generalization error in such settings by using tools from fractal geometry. While these works have successfully introduced new mathematical tools to apprehend generalization, they heavily rely on a Lipschitz continuity assumption, which in general does not hold for neural networks and might make the bounds vacuous. In this work, we address this issue and prove fractal geometry-based generalization bounds without requiring any Lipschitz assumption. To achieve this goal, we build up on a classical covering argument in learning theory and introduce a data-dependent fractal dimension. Despite introducing a significant amount of technical complications, this new notion lets us control the generalization error (over either fixed or random hypothesis spaces) along with certain mutual information (MI) terms. To provide a clearer interpretation to the newly introduced MI terms, as a next step, we introduce a notion of "geometric stability" and link our bounds to the prior art. Finally, we make a rigorous connection between the proposed data-dependent dimension and topological data analysis tools, which then enables us to compute the dimension in a numerically efficient way. We support our theory with experiments conducted on various settings.

There is a growing interest in the machine learning community in developing predictive algorithms that are "interpretable by design". Towards this end, recent work proposes to make interpretable decisions by sequentially asking interpretable queries about data until a prediction can be made with high confidence based on the answers obtained (the history). To promote short query-answer chains, a greedy procedure called Information Pursuit (IP) is used, which adaptively chooses queries in order of information gain. Generative models are employed to learn the distribution of query-answers and labels, which is in turn used to estimate the most informative query. However, learning and inference with a full generative model of the data is often intractable for complex tasks. In this work, we propose Variational Information Pursuit (V-IP), a variational characterization of IP which bypasses the need for learning generative models. V-IP is based on finding a query selection strategy and a classifier that minimizes the expected cross-entropy between true and predicted labels. We then demonstrate that the IP strategy is the optimal solution to this problem. Therefore, instead of learning generative models, we can use our optimal strategy to directly pick the most informative query given any history. We then develop a practical algorithm by defining a finite-dimensional parameterization of our strategy and classifier using deep networks and train them end-to-end using our objective. Empirically, V-IP is 10-100x faster than IP on different Vision and NLP tasks with competitive performance. Moreover, V-IP finds much shorter query chains when compared to reinforcement learning which is typically used in sequential-decision-making problems. Finally, we demonstrate the utility of V-IP on challenging tasks like medical diagnosis where the performance is far superior to the generative modelling approach.

Real-world non-mydriatic retinal fundus photography is prone to artifacts, imperfections and low-quality when certain ocular or systemic co-morbidities exist. Artifacts may result in inaccuracy or ambiguity in clinical diagnoses. In this paper, we proposed a simple but effective end-to-end framework for enhancing poor-quality retinal fundus images. Leveraging the optimal transport theory, we proposed an unpaired image-to-image translation scheme for transporting low-quality images to their high-quality counterparts. We theoretically proved that a Generative Adversarial Networks (GAN) model with a generator and discriminator is sufficient for this task. Furthermore, to mitigate the inconsistency of information between the low-quality images and their enhancements, an information consistency mechanism was proposed to maximally maintain structural consistency (optical discs, blood vessels, lesions) between the source and enhanced domains. Extensive experiments were conducted on the EyeQ dataset to demonstrate the superiority of our proposed method perceptually and quantitatively.

Developing simple, sample-efficient learning algorithms for robust classification is a pressing issue in today's tech-dominated world, and current theoretical techniques requiring exponential sample complexity and complicated improper learning rules fall far from answering the need. In this work we study the fundamental paradigm of (robust) $\textit{empirical risk minimization}$ (RERM), a simple process in which the learner outputs any hypothesis minimizing its training error. RERM famously fails to robustly learn VC classes (Montasser et al., 2019a), a bound we show extends even to `nice' settings such as (bounded) halfspaces. As such, we study a recent relaxation of the robust model called $\textit{tolerant}$ robust learning (Ashtiani et al., 2022) where the output classifier is compared to the best achievable error over slightly larger perturbation sets. We show that under geometric niceness conditions, a natural tolerant variant of RERM is indeed sufficient for $\gamma$-tolerant robust learning VC classes over $\mathbb{R}^d$, and requires only $\tilde{O}\left( \frac{VC(H)d\log \frac{D}{\gamma\delta}}{\epsilon^2}\right)$ samples for robustness regions of (maximum) diameter $D$.

We investigate fixed-budget best arm identification (BAI) for expected simple regret minimization. In each round of an adaptive experiment, a decision maker draws one of multiple treatment arms based on past observations and subsequently observes the outcomes of the chosen arm. After the experiment, the decision maker recommends a treatment arm with the highest projected outcome. We evaluate this decision in terms of the expected simple regret, a difference between the expected outcomes of the best and recommended treatment arms. Due to the inherent uncertainty, we evaluate the regret using the minimax criterion. For distributions with fixed variances (location-shift models), such as Gaussian distributions, we derive asymptotic lower bounds for the worst-case expected simple regret. Then, we show that the Random Sampling (RS)-Augmented Inverse Probability Weighting (AIPW) strategy proposed by Kato et al. (2022) is asymptotically minimax optimal in the sense that the leading factor of its worst-case expected simple regret asymptotically matches our derived worst-case lower bound. Our result indicates that, for location-shift models, the optimal RS-AIPW strategy draws treatment arms with varying probabilities based on their variances. This result contrasts with the results of Bubeck et al. (2011), which shows that drawing each treatment arm with an equal ratio is minimax optimal in a bounded outcome setting.

Non-mydriatic retinal color fundus photography (CFP) is widely available due to the advantage of not requiring pupillary dilation, however, is prone to poor quality due to operators, systemic imperfections, or patient-related causes. Optimal retinal image quality is mandated for accurate medical diagnoses and automated analyses. Herein, we leveraged the \emph{Optimal Transport (OT)} theory to propose an unpaired image-to-image translation scheme for mapping low-quality retinal CFPs to high-quality counterparts. Furthermore, to improve the flexibility, robustness, and applicability of our image enhancement pipeline in the clinical practice, we generalized a state-of-the-art model-based image reconstruction method, regularization by denoising, by plugging in priors learned by our OT-guided image-to-image translation network. We named it as \emph{regularization by enhancing (RE)}. We validated the integrated framework, OTRE, on three publicly available retinal image datasets by assessing the quality after enhancement and their performance on various downstream tasks, including diabetic retinopathy grading, vessel segmentation, and diabetic lesion segmentation. The experimental results demonstrated the superiority of our proposed framework over some state-of-the-art unsupervised competitors and a state-of-the-art supervised method.

The stochastic heavy ball method (SHB), also known as stochastic gradient descent (SGD) with Polyak's momentum, is widely used in training neural networks. However, despite the remarkable success of such algorithm in practice, its theoretical characterization remains limited. In this paper, we focus on neural networks with two and three layers and provide a rigorous understanding of the properties of the solutions found by SHB: \emph{(i)} stability after dropping out part of the neurons, \emph{(ii)} connectivity along a low-loss path, and \emph{(iii)} convergence to the global optimum. To achieve this goal, we take a mean-field view and relate the SHB dynamics to a certain partial differential equation in the limit of large network widths. This mean-field perspective has inspired a recent line of work focusing on SGD while, in contrast, our paper considers an algorithm with momentum. More specifically, after proving existence and uniqueness of the limit differential equations, we show convergence to the global optimum and give a quantitative bound between the mean-field limit and the SHB dynamics of a finite-width network. Armed with this last bound, we are able to establish the dropout-stability and connectivity of SHB solutions.

We lay the foundations of a non-parametric theory of best-arm identification in multi-armed bandits with a fixed budget T. We consider general, possibly non-parametric, models D for distributions over the arms; an overarching example is the model D = P(0,1) of all probability distributions over [0,1]. We propose upper bounds on the average log-probability of misidentifying the optimal arm based on information-theoretic quantities that correspond to infima over Kullback-Leibler divergences between some distributions in D and a given distribution. This is made possible by a refined analysis of the successive-rejects strategy of Audibert, Bubeck, and Munos (2010). We finally provide lower bounds on the same average log-probability, also in terms of the same new information-theoretic quantities; these lower bounds are larger when the (natural) assumptions on the considered strategies are stronger. All these new upper and lower bounds generalize existing bounds based, e.g., on gaps between distributions.

Federated Learning (FL) is a promising privacy-preserving distributed learning paradigm but suffers from high communication cost when training large-scale machine learning models. Sign-based methods, such as SignSGD \cite{bernstein2018signsgd}, have been proposed as a biased gradient compression technique for reducing the communication cost. However, sign-based algorithms could diverge under heterogeneous data, which thus motivated the development of advanced techniques, such as the error-feedback method and stochastic sign-based compression, to fix this issue. Nevertheless, these methods still suffer from slower convergence rates. Besides, none of them allows multiple local SGD updates like FedAvg \cite{mcmahan2017communication}. In this paper, we propose a novel noisy perturbation scheme with a general symmetric noise distribution for sign-based compression, which not only allows one to flexibly control the tradeoff between gradient bias and convergence performance, but also provides a unified viewpoint to existing stochastic sign-based methods. More importantly, the unified noisy perturbation scheme enables the development of the very first sign-based FedAvg algorithm ($z$-SignFedAvg) to accelerate the convergence. Theoretically, we show that $z$-SignFedAvg achieves a faster convergence rate than existing sign-based methods and, under the uniformly distributed noise, can enjoy the same convergence rate as its uncompressed counterpart. Extensive experiments are conducted to demonstrate that the $z$-SignFedAvg can achieve competitive empirical performance on real datasets and outperforms existing schemes.

Personalized treatment effect estimates are often of interest in high-stakes applications -- thus, before deploying a model estimating such effects in practice, one needs to be sure that the best candidate from the ever-growing machine learning toolbox for this task was chosen. Unfortunately, due to the absence of counterfactual information in practice, it is usually not possible to rely on standard validation metrics for doing so, leading to a well-known model selection dilemma in the treatment effect estimation literature. While some solutions have recently been investigated, systematic understanding of the strengths and weaknesses of different model selection criteria is still lacking. In this paper, instead of attempting to declare a global `winner', we therefore empirically investigate success- and failure modes of different selection criteria. We highlight that there is a complex interplay between selection strategies, candidate estimators and the DGP used for testing, and provide interesting insights into the relative (dis)advantages of different criteria alongside desiderata for the design of further illuminating empirical studies in this context.

Self-supervised learning (SSL) has emerged as a powerful framework to learn representations from raw data without supervision. Yet in practice, engineers face issues such as instability in tuning optimizers and collapse of representations during training. Such challenges motivate the need for a theory to shed light on the complex interplay between the choice of data augmentation, network architecture, and training algorithm. We study such an interplay with a precise analysis of generalization performance on both pretraining and downstream tasks in a theory friendly setup, and highlight several insights for SSL practitioners that arise from our theory.

Policymakers are required to evaluate the health benefits of reducing the National Ambient Air Quality Standards (NAAQS; i.e., the safety standards) for fine particulate matter PM 2.5 before implementing new policies. We formulate this objective as a shift-response function (SRF) and develop methods to analyze the problem using methods for causal inference, specifically under the stochastic interventions framework. SRFs model the average change in an outcome of interest resulting from a hypothetical shift in the observed exposure distribution. We propose a new broadly applicable doubly-robust method to learn SRFs using targeted regularization with neural networks. We evaluate our proposed method under various benchmarks specific for marginal estimates as a function of continuous exposure. Finally, we implement our estimator in the motivating application that considers the potential reduction in deaths from lowering the NAAQS from the current level of 12 $\mu g/m^3$ to levels that are recently proposed by the Environmental Protection Agency in the US (10, 9, and 8 $\mu g/m^3$).

Image-based environment perception is an important component especially for driver assistance systems or autonomous driving. In this scope, modern neuronal networks are used to identify multiple objects as well as the according position and size information within a single frame. The performance of such an object detection model is important for the overall performance of the whole system. However, a detection model might also predict these objects under a certain degree of uncertainty. [...] In this work, we examine the semantic uncertainty (which object type?) as well as the spatial uncertainty (where is the object and how large is it?). We evaluate if the predicted uncertainties of an object detection model match with the observed error that is achieved on real-world data. In the first part of this work, we introduce the definition for confidence calibration of the semantic uncertainty in the context of object detection, instance segmentation, and semantic segmentation. We integrate additional position information in our examinations to evaluate the effect of the object's position on the semantic calibration properties. Besides measuring calibration, it is also possible to perform a post-hoc recalibration of semantic uncertainty that might have turned out to be miscalibrated. [...] The second part of this work deals with the spatial uncertainty obtained by a probabilistic detection model. [...] We review and extend common calibration methods so that it is possible to obtain parametric uncertainty distributions for the position information in a more flexible way. In the last part, we demonstrate a possible use-case for our derived calibration methods in the context of object tracking. [...] We integrate our previously proposed calibration techniques and demonstrate the usefulness of semantic and spatial uncertainty calibration in a subsequent process. [...]

We propose to study and promote the robustness of a model as per its performance through the interpolation of training data distributions. Specifically, (1) we augment the data by finding the worst-case Wasserstein barycenter on the geodesic connecting subpopulation distributions of different categories. (2) We regularize the model for smoother performance on the continuous geodesic path connecting subpopulation distributions. (3) Additionally, we provide a theoretical guarantee of robustness improvement and investigate how the geodesic location and the sample size contribute, respectively. Experimental validations of the proposed strategy on four datasets, including CIFAR-100 and ImageNet, establish the efficacy of our method, e.g., our method improves the baselines' certifiable robustness on CIFAR10 up to $7.7\%$, with $16.8\%$ on empirical robustness on CIFAR-100. Our work provides a new perspective of model robustness through the lens of Wasserstein geodesic-based interpolation with a practical off-the-shelf strategy that can be combined with existing robust training methods.

Online changepoint detection aims to detect anomalies and changes in real-time in high-frequency data streams, sometimes with limited available computational resources. This is an important task that is rooted in many real-world applications, including and not limited to cybersecurity, medicine and astrophysics. While fast and efficient online algorithms have been recently introduced, these rely on parametric assumptions which are often violated in practical applications. Motivated by data streams from the telecommunications sector, we build a flexible nonparametric approach to detect a change in the distribution of a sequence. Our procedure, NP-FOCuS, builds a sequential likelihood ratio test for a change in a set of points of the empirical cumulative density function of our data. This is achieved by keeping track of the number of observations above or below those points. Thanks to functional pruning ideas, NP-FOCuS has a computational cost that is log-linear in the number of observations and is suitable for high-frequency data streams. In terms of detection power, NP-FOCuS is seen to outperform current nonparametric online changepoint techniques in a variety of settings. We demonstrate the utility of the procedure on both simulated and real data.

In location estimation, we are given $n$ samples from a known distribution $f$ shifted by an unknown translation $\lambda$, and want to estimate $\lambda$ as precisely as possible. Asymptotically, the maximum likelihood estimate achieves the Cram\'er-Rao bound of error $\mathcal N(0, \frac{1}{n\mathcal I})$, where $\mathcal I$ is the Fisher information of $f$. However, the $n$ required for convergence depends on $f$, and may be arbitrarily large. We build on the theory using \emph{smoothed} estimators to bound the error for finite $n$ in terms of $\mathcal I_r$, the Fisher information of the $r$-smoothed distribution. As $n \to \infty$, $r \to 0$ at an explicit rate and this converges to the Cram\'er-Rao bound. We (1) improve the prior work for 1-dimensional $f$ to converge for constant failure probability in addition to high probability, and (2) extend the theory to high-dimensional distributions. In the process, we prove a new bound on the norm of a high-dimensional random variable whose 1-dimensional projections are subgamma, which may be of independent interest.

Estimating time-varying graphical models are of paramount importance in various social, financial, biological, and engineering systems, since the evolution of such networks can be utilized for example to spot trends, detect anomalies, predict vulnerability, and evaluate the impact of interventions. Existing methods require extensive tuning of parameters that control the graph sparsity and temporal smoothness. Furthermore, these methods are computationally burdensome with time complexity $O(NP^3)$ for $P$ variables and $N$ time points. As a remedy, we propose a low-complexity tuning-free Bayesian approach, named BASS. Specifically, we impose temporally-dependent spike-and-slab priors on the graphs such that they are sparse and varying smoothly across time. A variational inference algorithm is then derived to learn the graph structures from the data automatically. Owning to the pseudo-likelihood and the mean-field approximation, the time complexity of BASS is only $O(NP^2)$. Additionally, by identifying the frequency-domain resemblance to the time-varying graphical models, we show that BASS can be extended to learning frequency-varying inverse spectral density matrices, and yields graphical models for multivariate stationary time series. Numerical results on both synthetic and real data show that that BASS can better recover the underlying true graphs, while being more efficient than the existing methods, especially for high-dimensional cases.

We introduce the decision-aware time-series conditional generative adversarial network (DAT-CGAN) as a method for time-series generation. The framework adopts a multi-Wasserstein loss on structured decision-related quantities, capturing the heterogeneity of decision-related data and providing new effectiveness in supporting the decision processes of end users. We improve sample efficiency through an overlapped block-sampling method, and provide a theoretical characterization of the generalization properties of DAT-CGAN. The framework is demonstrated on financial time series for a multi-time-step portfolio choice problem. We demonstrate better generative quality in regard to underlying data and different decision-related quantities than strong, GAN-based baselines.

In this paper, we investigate the problem of system identification for autonomous Markov jump linear systems (MJS) with complete state observations. We propose switched least squares method for identification of MJS, show that this method is strongly consistent, and derive data-dependent and data-independent rates of convergence. In particular, our data-independent rate of convergence shows that, almost surely, the system identification error is $\mathcal{O}\big(\sqrt{\log(T)/T} \big)$ where $T$ is the time horizon. These results show that switched least squares method for MJS has the same rate of convergence as least squares method for autonomous linear systems. We derive our results by imposing a general stability assumption on the model called stability in the average sense. We show that stability in the average sense is a weaker form of stability compared to the stability assumptions commonly imposed in the literature. We present numerical examples to illustrate the performance of the proposed method.

We suggest that deep learning can be used for pre-screening cancer by analyzing demographic and anthropometric information of patients, as well as biological markers obtained from routine blood samples and relative risks obtained from meta-analysis and international databases. We applied feature selection algorithms to a database of 116 women, including 52 healthy women and 64 women diagnosed with breast cancer, to identify the best pre-screening predictors of cancer. We utilized the best predictors to perform k-fold Monte Carlo cross-validation experiments that compare deep learning against traditional machine learning algorithms. Our results indicate that a deep learning model with an input-layer architecture that is fine-tuned using feature selection can effectively distinguish between patients with and without cancer. Additionally, compared to machine learning, deep learning has the lowest uncertainty in its predictions. These findings suggest that deep learning algorithms applied to cancer pre-screening offer a radiation-free, non-invasive, and affordable complement to screening methods based on imagery. The implementation of deep learning algorithms in cancer pre-screening offer opportunities to identify individuals who may require imaging-based screening, can encourage self-examination, and decrease the psychological externalities associated with false positives in cancer screening. The integration of deep learning algorithms for both screening and pre-screening will ultimately lead to earlier detection of malignancy, reducing the healthcare and societal burden associated to cancer treatment.

Standard approaches to decision-making under uncertainty focus on sequential exploration of the space of decisions. However, \textit{simultaneously} proposing a batch of decisions, which leverages available resources for parallel experimentation, has the potential to rapidly accelerate exploration. We present a family of (parallel) contextual bandit algorithms applicable to problems with bounded eluder dimension whose regret is nearly identical to their perfectly sequential counterparts -- given access to the same total number of oracle queries -- up to a lower-order ``burn-in" term. We further show these algorithms can be specialized to the class of linear reward functions where we introduce and analyze several new linear bandit algorithms which explicitly introduce diversity into their action selection. Finally, we also present an empirical evaluation of these parallel algorithms in several domains, including materials discovery and biological sequence design problems, to demonstrate the utility of parallelized bandits in practical settings.

In this paper we consider the problem learning of variational models in the context of supervised learning via risk minimization. Our goal is to provide a deeper understanding of the two approaches of learning of variational models via bilevel optimization and via algorithm unrolling. The former considers the variational model as a lower level optimization problem below the risk minimization problem, while the latter replaces the lower level optimization problem by an algorithm that solves said problem approximately. Both approaches are used in practice, but, unrolling is much simpler from a computational point of view. To analyze and compare the two approaches, we consider a simple toy model, and compute all risks and the respective estimators explicitly. We show that unrolling can be better than the bilevel optimization approach, but also that the performance of unrolling can depend significantly on further parameters, sometimes in unexpected ways: While the stepsize of the unrolled algorithm matters a lot, the number of unrolled iterations only matters if the number is even or odd, and these two cases are notably different.

MDPs with low-rank transitions -- that is, the transition matrix can be factored into the product of two matrices, left and right -- is a highly representative structure that enables tractable learning. The left matrix enables expressive function approximation for value-based learning and has been studied extensively. In this work, we instead investigate sample-efficient learning with density features, i.e., the right matrix, which induce powerful models for state-occupancy distributions. This setting not only sheds light on leveraging unsupervised learning in RL, but also enables plug-in solutions for convex RL. In the offline setting, we propose an algorithm for off-policy estimation of occupancies that can handle non-exploratory data. Using this as a subroutine, we further devise an online algorithm that constructs exploratory data distributions in a level-by-level manner. As a central technical challenge, the additive error of occupancy estimation is incompatible with the multiplicative definition of data coverage. In the absence of strong assumptions like reachability, this incompatibility easily leads to exponential error blow-up, which we overcome via novel technical tools. Our results also readily extend to the representation learning setting, when the density features are unknown and must be learned from an exponentially large candidate set.

We present a simple reduction from sequential estimation to sequential changepoint detection (SCD). In short, suppose we are interested in detecting changepoints in some parameter or functional $\theta$ of the underlying distribution. We demonstrate that if we can construct a confidence sequence (CS) for $\theta$, then we can also successfully perform SCD for $\theta$. This is accomplished by checking if two CSs -- one forwards and the other backwards -- ever fail to intersect. Since the literature on CSs has been rapidly evolving recently, the reduction provided in this paper immediately solves several old and new change detection problems. Further, our "backward CS", constructed by reversing time, is new and potentially of independent interest. We provide strong nonasymptotic guarantees on the frequency of false alarms and detection delay, and demonstrate numerical effectiveness on several problems.

In anomaly detection, the degree of irregularity is often summarized as a real-valued anomaly score. We address the problem of attributing such anomaly scores to input features for interpreting the results of anomaly detection. We particularly investigate the use of the Shapley value for attributing anomaly scores of semi-supervised detection methods. We propose a characteristic function specifically designed for attributing anomaly scores. The idea is to approximate the absence of some features by locally minimizing the anomaly score with regard to the to-be-absent features. We examine the applicability of the proposed characteristic function and other general approaches for interpreting anomaly scores on multiple datasets and multiple anomaly detection methods. The results indicate the potential utility of the attribution methods including the proposed one.

We study private and robust multi-armed bandits (MABs), where the agent receives Huber's contaminated heavy-tailed rewards and meanwhile needs to ensure differential privacy. We first present its minimax lower bound, characterizing the information-theoretic limit of regret with respect to privacy budget, contamination level and heavy-tailedness. Then, we propose a meta-algorithm that builds on a private and robust mean estimation sub-routine \texttt{PRM} that essentially relies on reward truncation and the Laplace mechanism only. For two different heavy-tailed settings, we give specific schemes of \texttt{PRM}, which enable us to achieve nearly-optimal regret. As by-products of our main results, we also give the first minimax lower bound for private heavy-tailed MABs (i.e., without contamination). Moreover, our two proposed truncation-based \texttt{PRM} achieve the optimal trade-off between estimation accuracy, privacy and robustness. Finally, we support our theoretical results with experimental studies.

The R package DynForest implements random forests for predicting a categorical or a (multiple causes) time-to-event outcome based on time-fixed and time-dependent predictors. Through the random forests, the time-dependent predictors can be measured with error at subject-specific times, and they can be endogeneous (i.e., impacted by the outcome process). They are modeled internally using flexible linear mixed models (thanks to lcmm package) with time-associations pre-specified by the user. DynForest computes dynamic predictions that take into account all the information from time-fixed and time-dependent predictors. DynForest also provides information about the most predictive variables using variable importance and minimal depth. Variable importance can also be computed on groups of variables. To display the results, several functions are available such as summary and plot functions. This paper aims to guide the user with a step-by-step example of the different functions for fitting random forests within DynForest.

Differentially private stochastic gradient descent (DP-SGD) is the workhorse algorithm for recent advances in private deep learning. It provides a single privacy guarantee to all datapoints in the dataset. We propose output-specific $(\varepsilon,\delta)$-DP to characterize privacy guarantees for individual examples when releasing models trained by DP-SGD. We also design an efficient algorithm to investigate individual privacy across a number of datasets. We find that most examples enjoy stronger privacy guarantees than the worst-case bound. We further discover that the training loss and the privacy parameter of an example are well-correlated. This implies groups that are underserved in terms of model utility simultaneously experience weaker privacy guarantees. For example, on CIFAR-10, the average $\varepsilon$ of the class with the lowest test accuracy is 44.2% higher than that of the class with the highest accuracy.

Despite the emergence of principled methods for domain adaptation under label shift, the sensitivity of these methods for minor shifts in the class conditional distributions remains precariously under explored. Meanwhile, popular deep domain adaptation heuristics tend to falter when faced with shifts in label proportions. While several papers attempt to adapt these heuristics to accommodate shifts in label proportions, inconsistencies in evaluation criteria, datasets, and baselines, make it hard to assess the state of the art. In this paper, we introduce RLSbench, a large-scale relaxed label shift benchmark, consisting of >500 distribution shift pairs that draw on 14 datasets across vision, tabular, and language modalities and compose them with varying label proportions. First, we evaluate 13 popular domain adaptation methods, demonstrating more widespread failures under label proportion shifts than were previously known. Next, we develop an effective two-step meta-algorithm that is compatible with most deep domain adaptation heuristics: (i) pseudo-balance the data at each epoch; and (ii) adjust the final classifier with (an estimate of) target label distribution. The meta-algorithm improves existing domain adaptation heuristics often by 2--10\% accuracy points under extreme label proportion shifts and has little (i.e., <0.5\%) effect when label proportions do not shift. We hope that these findings and the availability of RLSbench will encourage researchers to rigorously evaluate proposed methods in relaxed label shift settings. Code is publicly available at https://github.com/acmi-lab/RLSbench.

We present a comparison between various algorithms of inference of covariance and precision matrices in small datasets of real vectors, of the typical length and dimension of human brain activity time series retrieved by functional Magnetic Resonance Imaging (fMRI). Assuming a Gaussian model underlying the neural activity, the problem consists in denoising the empirically observed matrices in order to obtain a better estimator of the true precision and covariance matrices. We consider several standard noise-cleaning algorithms and compare them on two types of datasets. The first type are time series of fMRI brain activity of human subjects at rest. The second type are synthetic time series sampled from a generative Gaussian model of which we can vary the fraction of dimensions per sample q = N/T and the strength of off-diagonal correlations. The reliability of each algorithm is assessed in terms of test-set likelihood and, in the case of synthetic data, of the distance from the true precision matrix. We observe that the so called Optimal Rotationally Invariant Estimator, based on Random Matrix Theory, leads to a significantly lower distance from the true precision matrix in synthetic data, and higher test likelihood in natural fMRI data. We propose a variant of the Optimal Rotationally Invariant Estimator in which one of its parameters is optimised by cross-validation. In the severe undersampling regime (large q) typical of fMRI series, it outperforms all the other estimators. We furthermore propose a simple algorithm based on an iterative likelihood gradient ascent, providing an accurate estimation for weakly correlated datasets.

While machine learning has achieved remarkable results in a wide variety of domains, the training of models often requires large datasets that may need to be collected from different individuals. As sensitive information may be contained in the individual's dataset, sharing training data may lead to severe privacy concerns. Therefore, there is a compelling need to develop privacy-aware machine learning methods, for which one effective approach is to leverage the generic framework of differential privacy. Considering that stochastic gradient descent (SGD) is one of the most commonly adopted methods for large-scale machine learning problems, a decentralized differentially private SGD algorithm is proposed in this work. Particularly, we focus on SGD without replacement due to its favorable structure for practical implementation. Both privacy and convergence analysis are provided for the proposed algorithm. Finally, extensive experiments are performed to demonstrate the effectiveness of the proposed method.

This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.

Learning the graphical structure of Bayesian networks is key to describing data-generating mechanisms in many complex applications but poses considerable computational challenges. Observational data can only identify the equivalence class of the directed acyclic graph underlying a Bayesian network model, and a variety of methods exist to tackle the problem. Under certain assumptions, the popular PC algorithm can consistently recover the correct equivalence class by reverse-engineering the conditional independence (CI) relationships holding in the variable distribution. The dual PC algorithm is a novel scheme to carry out the CI tests within the PC algorithm by leveraging the inverse relationship between covariance and precision matrices. By exploiting block matrix inversions we can simultaneously perform tests on partial correlations of complementary (or dual) conditioning sets. The multiple CI tests of the dual PC algorithm proceed by first considering marginal and full-order CI relationships and progressively moving to central-order ones. Simulation studies show that the dual PC algorithm outperforms the classic PC algorithm both in terms of run time and in recovering the underlying network structure, even in the presence of deviations from Gaussianity. Additionally, we show that the dual PC algorithm applies for Gaussian copula models, and demonstrate its performance in that setting.

The low-dimensional manifold hypothesis posits that the data found in many applications, such as those involving natural images, lie (approximately) on low-dimensional manifolds embedded in a high-dimensional Euclidean space. In this setting, a typical neural network defines a function that takes a finite number of vectors in the embedding space as input. However, one often needs to consider evaluating the optimized network at points outside the training distribution. This paper considers the case in which the training data is distributed in a linear subspace of $\mathbb R^d$. We derive estimates on the variation of the learning function, defined by a neural network, in the direction transversal to the subspace. We study the potential regularization effects associated with the network's depth and noise in the codimension of the data manifold. We also present additional side effects in training due to the presence of noise.

Contrastively trained encoders have recently been proven to invert the data-generating process: they encode each input, e.g., an image, into the true latent vector that generated the image (Zimmermann et al., 2021). However, real-world observations often have inherent ambiguities. For instance, images may be blurred or only show a 2D view of a 3D object, so multiple latents could have generated them. This makes the true posterior for the latent vector probabilistic with heteroscedastic uncertainty. In this setup, we extend the common InfoNCE objective and encoders to predict latent distributions instead of points. We prove that these distributions recover the correct posteriors of the data-generating process, including its level of aleatoric uncertainty, up to a rotation of the latent space. In addition to providing calibrated uncertainty estimates, these posteriors allow the computation of credible intervals in image retrieval. They comprise images with the same latent as a given query, subject to its uncertainty.

Missing data is common in applied data science, particularly for tabular data sets found in healthcare, social sciences, and natural sciences. Most supervised learning methods only work on complete data, thus requiring preprocessing such as missing value imputation to work on incomplete data sets. However, imputation alone does not encode useful information about the missing values themselves. For data sets with informative missing patterns, the Missing Indicator Method (MIM), which adds indicator variables to indicate the missing pattern, can be used in conjunction with imputation to improve model performance. While commonly used in data science, MIM is surprisingly understudied from an empirical and especially theoretical perspective. In this paper, we show empirically and theoretically that MIM improves performance for informative missing values, and we prove that MIM does not hurt linear models asymptotically for uninformative missing values. Additionally, we find that for high-dimensional data sets with many uninformative indicators, MIM can induce model overfitting and thus test performance. To address this issue, we introduce Selective MIM (SMIM), a novel MIM extension that adds missing indicators only for features that have informative missing patterns. We show empirically that SMIM performs at least as well as MIM in general, and improves MIM for high-dimensional data. Lastly, to demonstrate the utility of MIM on real-world data science tasks, we demonstrate the effectiveness of MIM and SMIM on clinical tasks generated from the MIMIC-III database of electronic health records.

Methods based on ordinary differential equations (ODEs) are widely used to build generative models of time-series. In addition to high computational overhead due to explicitly computing hidden states recurrence, existing ODE-based models fall short in learning sequence data with sharp transitions - common in many real-world systems - due to numerical challenges during optimization. In this work, we propose LS4, a generative model for sequences with latent variables evolving according to a state space ODE to increase modeling capacity. Inspired by recent deep state space models (S4), we achieve speedups by leveraging a convolutional representation of LS4 which bypasses the explicit evaluation of hidden states. We show that LS4 significantly outperforms previous continuous-time generative models in terms of marginal distribution, classification, and prediction scores on real-world datasets in the Monash Forecasting Repository, and is capable of modeling highly stochastic data with sharp temporal transitions. LS4 sets state-of-the-art for continuous-time latent generative models, with significant improvement of mean squared error and tighter variational lower bounds on irregularly-sampled datasets, while also being x100 faster than other baselines on long sequences.

Motivated by online decision-making in time-varying combinatorial environments, we study the problem of transforming offline algorithms to their online counterparts. We focus on offline combinatorial problems that are amenable to a constant factor approximation using a greedy algorithm that is robust to local errors. For such problems, we provide a general framework that efficiently transforms offline robust greedy algorithms to online ones using Blackwell approachability. We show that the resulting online algorithms have $O(\sqrt{T})$ (approximate) regret under the full information setting. We further introduce a bandit extension of Blackwell approachability that we call Bandit Blackwell approachability. We leverage this notion to transform greedy robust offline algorithms into a $O(T^{2/3})$ (approximate) regret in the bandit setting. Demonstrating the flexibility of our framework, we apply our offline-to-online transformation to several problems at the intersection of revenue management, market design, and online optimization, including product ranking optimization in online platforms, reserve price optimization in auctions, and submodular maximization. We also extend our reduction to greedy-like first order methods used in continuous optimization, such as those used for maximizing continuous strong DR monotone submodular functions subject to convex constraints. We show that our transformation, when applied to these applications, leads to new regret bounds or improves the current known bounds. We complement our theoretical studies by conducting numerical simulations for two of our applications, in both of which we observe that the numerical performance of our transformations outperforms the theoretical guarantees in practical instances.

Low information transfer rate is a major bottleneck for brain-computer interfaces based on non-invasive electroencephalography (EEG) for clinical applications. This led to the development of more robust and accurate classifiers. In this study, we investigate the performance of quantum-enhanced support vector classifier (QSVC). Training (predicting) balanced accuracy of QSVC was 83.17 (50.25) %. This result shows that the classifier was able to learn from EEG data, but that more research is required to obtain higher predicting accuracy. This could be achieved by a better configuration of the classifier, such as increasing the number of shots.

We consider Bandits with Knapsacks (henceforth, BwK), a general model for multi-armed bandits under supply/budget constraints. In particular, a bandit algorithm needs to solve a well-known knapsack problem: find an optimal packing of items into a limited-size knapsack. The BwK problem is a common generalization of numerous motivating examples, which range from dynamic pricing to repeated auctions to dynamic ad allocation to network routing and scheduling. While the prior work on BwK focused on the stochastic version, we pioneer the other extreme in which the outcomes can be chosen adversarially. This is a considerably harder problem, compared to both the stochastic version and the "classic" adversarial bandits, in that regret minimization is no longer feasible. Instead, the objective is to minimize the competitive ratio: the ratio of the benchmark reward to the algorithm's reward. We design an algorithm with competitive ratio O(log T) relative to the best fixed distribution over actions, where T is the time horizon; we also prove a matching lower bound. The key conceptual contribution is a new perspective on the stochastic version of the problem. We suggest a new algorithm for the stochastic version, which builds on the framework of regret minimization in repeated games and admits a substantially simpler analysis compared to prior work. We then analyze this algorithm for the adversarial version and use it as a subroutine to solve the latter.

Generalized correlation analysis (GCA) is concerned with uncovering linear relationships across multiple datasets. It generalizes canonical correlation analysis that is designed for two datasets. We study sparse GCA when there are potentially multiple generalized correlation tuples in data and the loading matrix has a small number of nonzero rows. It includes sparse CCA and sparse PCA of correlation matrices as special cases. We first formulate sparse GCA as generalized eigenvalue problems at both population and sample levels via a careful choice of normalization constraints. Based on a Lagrangian form of the sample optimization problem, we propose a thresholded gradient descent algorithm for estimating GCA loading vectors and matrices in high dimensions. We derive tight estimation error bounds for estimators generated by the algorithm with proper initialization. We also demonstrate the prowess of the algorithm on a number of synthetic datasets.

This paper investigates Support Vector Regression (SVR) in the context of the fundamental risk quadrangle paradigm. It is shown that both formulations of SVR, $\varepsilon$-SVR and $\nu$-SVR, correspond to the minimization of equivalent regular error measures (Vapnik error and superquantile (CVaR) norm, respectively) with a regularization penalty. These error measures, in turn, give rise to corresponding risk quadrangles. By constructing the fundamental risk quadrangle, which corresponds to SVR, we show that SVR is the asymptotically unbiased estimator of the average of two symmetric conditional quantiles. Furthermore, the technique used for the construction of quadrangles serves as a powerful tool in proving the equivalence between $\varepsilon$-SVR and $\nu$-SVR. Additionally, SVR is formulated as a regular deviation minimization problem with a regularization penalty by invoking Error Shaping Decomposition of Regression and the dual formulation of SVR in the risk quadrangle framework is derived.

Statistical analysis is increasingly confronted with complex data from metric spaces. Petersen and M\"uller (2019) established a general paradigm of Fr\'echet regression with complex metric space valued responses and Euclidean predictors. However, the local approach therein involves nonparametric kernel smoothing and suffers from the curse of dimensionality. To address this issue, we in this paper propose a novel random forest weighted local Fr\'echet regression paradigm. The main mechanism of our approach relies on a locally adaptive kernel generated by random forests. Our first method utilizes these weights as the local average to solve the conditional Fr\'echet mean, while the second method performs local linear Fr\'echet regression, both significantly improving existing Fr\'echet regression methods. Based on the theory of infinite order U-processes and infinite order Mmn -estimator, we establish the consistency, rate of convergence, and asymptotic normality for our local constant estimator, which covers the current large sample theory of random forests with Euclidean responses as a special case. Numerical studies show the superiority of our methods with several commonly encountered types of responses such as distribution functions, symmetric positive-definite matrices, and sphere data. The practical merits of our proposals are also demonstrated through the application to human mortality distribution data.

In online learning problems, exploiting low variance plays an important role in obtaining tight performance guarantees yet is challenging because variances are often not known a priori. Recently, considerable progress has been made by Zhang et al. (2021) where they obtain a variance-adaptive regret bound for linear bandits without knowledge of the variances and a horizon-free regret bound for linear mixture Markov decision processes (MDPs). In this paper, we present novel analyses that improve their regret bounds significantly. For linear bandits, we achieve $\tilde O(\min\{d\sqrt{K}, d^{1.5}\sqrt{\sum_{k=1}^K \sigma_k^2}\} + d^2)$ where $d$ is the dimension of the features, $K$ is the time horizon, and $\sigma_k^2$ is the noise variance at time step $k$, and $\tilde O$ ignores polylogarithmic dependence, which is a factor of $d^3$ improvement. For linear mixture MDPs with the assumption of maximum cumulative reward in an episode being in $[0,1]$, we achieve a horizon-free regret bound of $\tilde O(d \sqrt{K} + d^2)$ where $d$ is the number of base models and $K$ is the number of episodes. This is a factor of $d^{3.5}$ improvement in the leading term and $d^7$ in the lower order term. Our analysis critically relies on a novel peeling-based regret analysis that leverages the elliptical potential `count' lemma.

The rise of generalist large-scale models in natural language and vision has made us expect that a massive data-driven approach could achieve broader generalization in other domains such as continuous control. In this work, we explore a method for learning a single policy that manipulates various forms of agents to solve various tasks by distilling a large amount of proficient behavioral data. In order to align input-output (IO) interface among multiple tasks and diverse agent morphologies while preserving essential 3D geometric relations, we introduce morphology-task graph, which treats observations, actions and goals/task in a unified graph representation. We also develop MxT-Bench for fast large-scale behavior generation, which supports procedural generation of diverse morphology-task combinations with a minimal blueprint and hardware-accelerated simulator. Through efficient representation and architecture selection on MxT-Bench, we find out that a morphology-task graph representation coupled with Transformer architecture improves the multi-task performances compared to other baselines including recent discrete tokenization, and provides better prior knowledge for zero-shot transfer or sample efficiency in downstream multi-task imitation learning. Our work suggests large diverse offline datasets, unified IO representation, and policy representation and architecture selection through supervised learning form a promising approach for studying and advancing morphology-task generalization.

The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success in generating novel, functional protein backbones that have not been observed in nature. However, there exists no principled methodological framework for diffusion on SE(3), the space of orientation preserving rigid motions in R3, that operates on frames and confers the group invariance. We address these shortcomings by developing theoretical foundations of SE(3) invariant diffusion models on multiple frames followed by a novel framework, FrameDiff, for learning the SE(3) equivariant score over multiple frames. We apply FrameDiff on monomer backbone generation and find it can generate designable monomers up to 500 amino acids without relying on a pretrained protein structure prediction network that has been integral to previous methods. We find our samples are capable of generalizing beyond any known protein structure.

Traditional neural networks are simple to train but they produce overconfident predictions, while Bayesian neural networks provide good uncertainty quantification but optimizing them is time consuming. This paper introduces a new approach, direct uncertainty quantification (DirectUQ), that combines their advantages where the neural network directly models uncertainty in output space, and captures both aleatoric and epistemic uncertainty. DirectUQ can be derived as an alternative variational lower bound, and hence benefits from collapsed variational inference that provides improved regularizers. On the other hand, like non-probabilistic models, DirectUQ enjoys simple training and one can use Rademacher complexity to provide risk bounds for the model. Experiments show that DirectUQ and ensembles of DirectUQ provide a good tradeoff in terms of run time and uncertainty quantification, especially for out of distribution data.

Federated learning has received great attention for its capability to train a large-scale model in a decentralized manner without needing to access user data directly. It helps protect the users' private data from centralized collecting. Unlike distributed machine learning, federated learning aims to tackle non-IID data from heterogeneous sources in various real-world applications, such as those on smartphones. Existing federated learning approaches usually adopt a single global model to capture the shared knowledge of all users by aggregating their gradients, regardless of the discrepancy between their data distributions. However, due to the diverse nature of user behaviors, assigning users' gradients to different global models (i.e., centers) can better capture the heterogeneity of data distributions across users. Our paper proposes a novel multi-center aggregation mechanism for federated learning, which learns multiple global models from the non-IID user data and simultaneously derives the optimal matching between users and centers. We formulate the problem as a joint optimization that can be efficiently solved by a stochastic expectation maximization (EM) algorithm. Our experimental results on benchmark datasets show that our method outperforms several popular federated learning methods.

The kernel Maximum Mean Discrepancy~(MMD) is a popular multivariate distance metric between distributions that has found utility in two-sample testing. The usual kernel-MMD test statistic is a degenerate U-statistic under the null, and thus it has an intractable limiting distribution. Hence, to design a level-$\alpha$ test, one usually selects the rejection threshold as the $(1-\alpha)$-quantile of the permutation distribution. The resulting nonparametric test has finite-sample validity but suffers from large computational cost, since every permutation takes quadratic time. We propose the cross-MMD, a new quadratic-time MMD test statistic based on sample-splitting and studentization. We prove that under mild assumptions, the cross-MMD has a limiting standard Gaussian distribution under the null. Importantly, we also show that the resulting test is consistent against any fixed alternative, and when using the Gaussian kernel, it has minimax rate-optimal power against local alternatives. For large sample sizes, our new cross-MMD provides a significant speedup over the MMD, for only a slight loss in power.  ( 2 min )

Model fairness is an essential element for Trustworthy AI. While many techniques for model fairness have been proposed, most of them assume that the training and deployment data distributions are identical, which is often not true in practice. In particular, when the bias between labels and sensitive groups changes, the fairness of the trained model is directly influenced and can worsen. We make two contributions for solving this problem. First, we analytically show that existing in-processing fair algorithms have fundamental limits in accuracy and group fairness. We introduce the notion of correlation shifts, which can explicitly capture the change of the above bias. Second, we propose a novel pre-processing step that samples the input data to reduce correlation shifts and thus enables the in-processing approaches to overcome their limitations. We formulate an optimization problem for adjusting the data ratio among labels and sensitive groups to reflect the shifted correlation. A key benefit of our approach lies in decoupling the roles of pre- and in-processing approaches: correlation adjustment via pre-processing and unfairness mitigation on the processed data via in-processing. Experiments show that our framework effectively improves existing in-processing fair algorithms w.r.t. accuracy and fairness, both on synthetic and real datasets.  ( 2 min )

Fixed-budget best-arm identification (BAI) is a bandit problem where the agent maximizes the probability of identifying the optimal arm within a fixed budget of observations. In this work, we study this problem in the Bayesian setting. We propose a Bayesian elimination algorithm and derive an upper bound on its probability of misidentifying the optimal arm. The bound reflects the quality of the prior and is the first distribution-dependent bound in this setting. We prove it using a frequentist-like argument, where we carry the prior through, and then integrate out the bandit instance at the end. We also provide the first lower bound on the probability of misidentification in a $2$-armed Bayesian bandit and show that our upper bound (almost) matches the lower bound. Our experiments show that Bayesian elimination is superior to frequentist methods and competitive with the state-of-the-art Bayesian algorithms that have no guarantees in our setting.  ( 2 min )

U-Clip is a simple amendment to gradient clipping that can be applied to any iterative gradient optimization algorithm. Like regular clipping, U-Clip involves using gradients that are clipped to a prescribed size (e.g. with component wise or norm based clipping) but instead of discarding the clipped portion of the gradient, U-Clip maintains a buffer of these values that is added to the gradients on the next iteration (before clipping). We show that the cumulative bias of the U-Clip updates is bounded by a constant. This implies that the clipped updates are unbiased on average. Convergence follows via a lemma that guarantees convergence with updates $u_i$ as long as $\sum_{i=1}^t (u_i - g_i) = o(t)$ where $g_i$ are the gradients. Extensive experimental exploration is performed on CIFAR10 with further validation given on ImageNet.  ( 2 min )

Dealing with distribution shifts is one of the central challenges for modern machine learning. One fundamental situation is the \emph{covariate shift}, where the input distributions of data change from training to testing stages while the input-conditional output distribution remains unchanged. In this paper, we initiate the study of a more challenging scenario -- \emph{continuous} covariate shift -- in which the test data appear sequentially, and their distributions can shift continuously. Our goal is to adaptively train the predictor such that its prediction risk accumulated over time can be minimized. Starting with the importance-weighted learning, we show the method works effectively if the time-varying density ratios of test and train inputs can be accurately estimated. However, existing density ratio estimation methods would fail due to data scarcity at each time step. To this end, we propose an online method that can appropriately reuse historical information. Our density ratio estimation method is proven to perform well by enjoying a dynamic regret bound, which finally leads to an excess risk guarantee for the predictor. Empirical results also validate the effectiveness.  ( 2 min )

We introduce Dynamic Contextual Markov Decision Processes (DCMDPs), a novel reinforcement learning framework for history-dependent environments that generalizes the contextual MDP framework to handle non-Markov environments, where contexts change over time. We consider special cases of the model, with a focus on logistic DCMDPs, which break the exponential dependence on history length by leveraging aggregation functions to determine context transitions. This special structure allows us to derive an upper-confidence-bound style algorithm for which we establish regret bounds. Motivated by our theoretical results, we introduce a practical model-based algorithm for logistic DCMDPs that plans in a latent space and uses optimism over history-dependent features. We demonstrate the efficacy of our approach on a recommendation task (using MovieLens data) where user behavior dynamics evolve in response to recommendations.  ( 2 min )

When a customer overdraws their account and their balance is negative they are assessed an overdraft fee. Americans pay approximately \$15 billion in unnecessary overdraft fees a year, often in \$35 increments; users of the Mint personal finance app pay approximately \$250 million in fees a year in particular. These overdraft fees are an excessive financial burden and lead to cascading overdraft fees trapping customers in financial hardship. To address this problem, we have created an ML-driven overdraft early warning system (ODEWS) that assesses a customer's risk of overdrafting within the next week using their banking and transaction data in the Mint app. At-risk customers are sent an alert so they can take steps to avoid the fee, ultimately changing their behavior and financial habits. The system deployed resulted in a \$3 million savings in overdraft fees for Mint customers compared to a control group. Moreover, the methodology outlined here can be generalized to provide ML-driven personalized financial advice for many different personal finance goals--increase credit score, build emergency savings fund, pay down debut, allocate capital for investment.  ( 2 min )

Sliced Wasserstein (SW) distance has been widely used in different application scenarios since it can be scaled to a large number of supports without suffering from the curse of dimensionality. The value of sliced Wasserstein distance is the average of transportation cost between one-dimensional representations (projections) of original measures that are obtained by Radon Transform (RT). Despite its efficiency in the number of supports, estimating the sliced Wasserstein requires a relatively large number of projections in high-dimensional settings. Therefore, for applications where the number of supports is relatively small compared with the dimension, e.g., several deep learning applications where the mini-batch approaches are utilized, the complexities from matrix multiplication of Radon Transform become the main computational bottleneck. To address this issue, we propose to derive projections by linearly and randomly combining a smaller number of projections which are named bottleneck projections. We explain the usage of these projections by introducing Hierarchical Radon Transform (HRT) which is constructed by applying Radon Transform variants recursively. We then formulate the approach into a new metric between measures, named Hierarchical Sliced Wasserstein (HSW) distance. By proving the injectivity of HRT, we derive the metricity of HSW. Moreover, we investigate the theoretical properties of HSW including its connection to SW variants and its computational and sample complexities. Finally, we compare the computational cost and generative quality of HSW with the conventional SW on the task of deep generative modeling using various benchmark datasets including CIFAR10, CelebA, and Tiny ImageNet.  ( 2 min )

This work investigates the intersection of cross modal learning and semi supervised learning, where we aim to improve the supervised learning performance of the primary modality by borrowing missing information from an unlabeled modality. We investigate this problem from a Nadaraya Watson (NW) kernel regression perspective and show that this formulation implicitly leads to a kernelized cross attention module. To this end, we propose The Attention Patch (TAP), a simple neural network plugin that allows data level knowledge transfer from the unlabeled modality. We provide numerical simulations on three real world datasets to examine each aspect of TAP and show that a TAP integration in a neural network can improve generalization performance using the unlabeled modality.  ( 2 min )

In offline reinforcement learning (RL) we have no opportunity to explore so we must make assumptions that the data is sufficient to guide picking a good policy, taking the form of assuming some coverage, realizability, Bellman completeness, and/or hard margin (gap). In this work we propose value-based algorithms for offline RL with PAC guarantees under just partial coverage, specifically, coverage of just a single comparator policy, and realizability of soft (entropy-regularized) Q-function of the single policy and a related function defined as a saddle point of certain minimax optimization problem. This offers refined and generally more lax conditions for offline RL. We further show an analogous result for vanilla Q-functions under a soft margin condition. To attain these guarantees, we leverage novel minimax learning algorithms to accurately estimate soft or vanilla Q-functions with $L^2$-convergence guarantees. Our algorithms' loss functions arise from casting the estimation problems as nonlinear convex optimization problems and Lagrangifying.  ( 2 min )

We present a variety of novel information-theoretic generalization bounds for learning algorithms, from the supersample setting of Steinke & Zakynthinou (2020)-the setting of the "conditional mutual information" framework. Our development exploits projecting the loss pair (obtained from a training instance and a testing instance) down to a single number and correlating loss values with a Rademacher sequence (and its shifted variants). The presented bounds include square-root bounds, fast-rate bounds, including those based on variance and sharpness, and bounds for interpolating algorithms etc. We show theoretically or empirically that these bounds are tighter than all information-theoretic bounds known to date on the same supersample setting.  ( 2 min )

The ability to align points across two related yet incomparable point clouds (e.g. living in different spaces) plays an important role in machine learning. The Gromov-Wasserstein (GW) framework provides an increasingly popular answer to such problems, by seeking a low-distortion, geometry-preserving assignment between these points. As a non-convex, quadratic generalization of optimal transport (OT), GW is NP-hard. While practitioners often resort to solving GW approximately as a nested sequence of entropy-regularized OT problems, the cubic complexity (in the number $n$ of samples) of that approach is a roadblock. We show in this work how a recent variant of the OT problem that restricts the set of admissible couplings to those having a low-rank factorization is remarkably well suited to the resolution of GW: when applied to GW, we show that this approach is not only able to compute a stationary point of the GW problem in time $O(n^2)$, but also uniquely positioned to benefit from the knowledge that the initial cost matrices are low-rank, to yield a linear time $O(n)$ GW approximation. Our approach yields similar results, yet orders of magnitude faster computation than the SoTA entropic GW approaches, on both simulated and real data.  ( 2 min )

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive to information contained at distant nodes. Despite recent methods introduced to mitigate this issue, an understanding of the causes for over-squashing and of possible solutions are lacking. In this theoretical work, we prove that: (i) Neural network width can mitigate over-squashing, but at the cost of making the whole network more sensitive; (ii) Conversely, depth cannot help mitigate over-squashing: increasing the number of layers leads to over-squashing being dominated by vanishing gradients; (iii) The graph topology plays the greatest role, since over-squashing occurs between nodes at high commute (access) time. Our analysis provides a unified framework to study different recent methods introduced to cope with over-squashing and serves as a justification for a class of methods that fall under `graph rewiring'.  ( 2 min )

The tensor data recovery task has thus attracted much research attention in recent years. Solving such an ill-posed problem generally requires to explore intrinsic prior structures underlying tensor data, and formulate them as certain forms of regularization terms for guiding a sound estimate of the restored tensor. Recent research have made significant progress by adopting two insightful tensor priors, i.e., global low-rankness (L) and local smoothness (S) across different tensor modes, which are always encoded as a sum of two separate regularization terms into the recovery models. However, unlike the primary theoretical developments on low-rank tensor recovery, these joint L+S models have no theoretical exact-recovery guarantees yet, making the methods lack reliability in real practice. To this crucial issue, in this work, we build a unique regularization term, which essentially encodes both L and S priors of a tensor simultaneously. Especially, by equipping this single regularizer into the recovery models, we can rigorously prove the exact recovery guarantees for two typical tensor recovery tasks, i.e., tensor completion (TC) and tensor robust principal component analysis (TRPCA). To the best of our knowledge, this should be the first exact-recovery results among all related L+S methods for tensor recovery. Significant recovery accuracy improvements over many other SOTA methods in several TC and TRPCA tasks with various kinds of visual tensor data are observed in extensive experiments. Typically, our method achieves a workable performance when the missing rate is extremely large, e.g., 99.5%, for the color image inpainting task, while all its peers totally fail in such challenging case.  ( 2 min )

This work studies the pure-exploration setting for the convex hull feasibility (CHF) problem where one aims to efficiently and accurately determine if a given point lies in the convex hull of means of a finite set of distributions. We give a complete characterization of the sample complexity of the CHF problem in the one-dimensional setting. We present the first asymptotically optimal algorithm called Thompson-CHF, whose modular design consists of a stopping rule and a sampling rule. In addition, we provide an extension of the algorithm that generalizes several important problems in the multi-armed bandit literature. Finally, we further investigate the Gaussian bandit case with unknown variances and address how the Thompson-CHF algorithm can be adjusted to be asymptotically optimal in this setting.  ( 2 min )

We consider the task of evaluating policies of algorithmic resource allocation through randomized controlled trials (RCTs). Such policies are tasked with optimizing the utilization of limited intervention resources, with the goal of maximizing the benefits derived. Evaluation of such allocation policies through RCTs proves difficult, notwithstanding the scale of the trial, because the individuals' outcomes are inextricably interlinked through resource constraints controlling the policy decisions. Our key contribution is to present a new estimator leveraging our proposed novel concept, that involves retrospective reshuffling of participants across experimental arms at the end of an RCT. We identify conditions under which such reassignments are permissible and can be leveraged to construct counterfactual trials, whose outcomes can be accurately ascertained, for free. We prove theoretically that such an estimator is more accurate than common estimators based on sample means -- we show that it returns an unbiased estimate and simultaneously reduces variance. We demonstrate the value of our approach through empirical experiments on synthetic, semi-synthetic as well as real case study data and show improved estimation accuracy across the board.  ( 2 min )

Many problems in computer science reduce to the recovery of an $n$-sparse measure from its (generalized) moments. Sparse measure recovery has been the research focus in super-resolution, tensor decomposition, and learning neural networks. The existing methods use either convex relaxations or overparameterization for recovery. Here, we propose recovery with non-convex optimization without overparameterization. Our algorithm is a (sub)gradient descent method optimizing a non-convex energy function studied in physics. We establish the global convergence of gradient descent on the energy function. This result enables us to solve super-resolution in $O(n^2)$ time, which significantly improves upon $O(n^3)$ time for solving convex relaxations. For a particular neural network, we prove the global convergence of subgradient descent on the population loss without overparameterization. The studied network has zero-one activations, and inputs drawn from the unit sphere.  ( 2 min )

We study offline multi-agent reinforcement learning (RL) in Markov games, where the goal is to learn an approximate equilibrium -- such as Nash equilibrium and (Coarse) Correlated Equilibrium -- from an offline dataset pre-collected from the game. Existing works consider relatively restricted tabular or linear models and handle each equilibria separately. In this work, we provide the first framework for sample-efficient offline learning in Markov games under general function approximation, handling all 3 equilibria in a unified manner. By using Bellman-consistent pessimism, we obtain interval estimation for policies' returns, and use both the upper and the lower bounds to obtain a relaxation on the gap of a candidate policy, which becomes our optimization objective. Our results generalize prior works and provide several additional insights. Importantly, we require a data coverage condition that improves over the recently proposed "unilateral concentrability". Our condition allows selective coverage of deviation policies that optimally trade-off between their greediness (as approximate best responses) and coverage, and we show scenarios where this leads to significantly better guarantees. As a new connection, we also show how our algorithmic framework can subsume seemingly different solution concepts designed for the special case of two-player zero-sum games.  ( 2 min )

The recipe behind the success of deep learning has been the combination of neural networks and gradient-based optimization. Understanding the behavior of gradient descent however, and particularly its instability, has lagged behind its empirical success. To add to the theoretical tools available to study gradient descent we propose the principal flow (PF), a continuous time flow that approximates gradient descent dynamics. To our knowledge, the PF is the only continuous flow that captures the divergent and oscillatory behaviors of gradient descent, including escaping local minima and saddle points. Through its dependence on the eigendecomposition of the Hessian the PF sheds light on the recently observed edge of stability phenomena in deep learning. Using our new understanding of instability we propose a learning rate adaptation method which enables us to control the trade-off between training stability and test set evaluation performance.  ( 2 min )

Unsupervised domain adaptation (UDA) is a technique used to transfer knowledge from a labeled source domain to a different but related unlabeled target domain. While many UDA methods have shown success in the past, they often assume that the source and target domains must have identical class label distributions, which can limit their effectiveness in real-world scenarios. To address this limitation, we propose a novel generalization bound that reweights source classification error by aligning source and target sub-domains. We prove that our proposed generalization bound is at least as strong as existing bounds under realistic assumptions, and we empirically show that it is much stronger on real-world data. We then propose an algorithm to minimize this novel generalization bound. We demonstrate by numerical experiments that this approach improves performance in shifted class distribution scenarios compared to state-of-the-art methods.  ( 2 min )

submitted by /u/nickkgar [link] [comments]  ( 40 min )

I am looking for a AI/Machine Learning Engineering tutor. I am specifically interested in help developing and building ~2 Medium/large NLP projects, using SOTA LLM’s (GPT3, etc.). After these, I would potentially be interested in diving into RL. I am looking for a little bit of theory when needed, but predominantly hands-on coding project help (eg. real-time coding help if I get stuck). Reach out if you are interested! (Of course $ negotiated). submitted by /u/ThoseWhoAbandonViews [link] [comments]  ( 42 min )

It seems the others like tome ai, and chatbcg are completely trafficked out. Also you cant even save the powerpoints, so please is there one that i can use. I also have my own text that id like to turn into a powerpoint submitted by /u/Ancient_Vegetable_62 [link] [comments]  ( 43 min )

I'm exploring the possibility of using my AMD Ryzen 5 3400G computer with 16GB of RAM to train an AI model. I'm curious to know if this setup is adequate for the task and, if so, what kind of AI models would be appropriate. I'm interested in understanding any limitations and drawbacks that I may face with this setup. If you have any relevant experience or information, I would greatly appreciate your participation in this discussion. Thanks! <3 submitted by /u/erikaonline [link] [comments]  ( 43 min )

I have had a lot of fun and success using YOLO and other image object detection models on 2D or 3D image data for personal projects. I am now working on some projects where I need to scan long periods of timeseries data and find specific waveforms that are variable durations. Are there techniques or models that function like YOLO that can scan large amounts of data and only highlight specific segments of interest as specific classes? If it doesn’t exist, I wonder how well the underlying CNN architecture of YOLO would translate to 1 dimensional CNN architectures. Any info is appreciated, thanks! submitted by /u/Optoplasm [link] [comments]  ( 43 min )

I'm looking to combine two separate models together end-to-end, but need help understanding the best way to connect discrete parts. The first part: I trained a classifier that given an input vector (512 dimensional) is able to predict one of twenty possible labels. The second part: given an input label (from the previous classifier), embed the label and use that label to make a prediction. Both models work decently, but I'm wondering if I can make this end-to-end and get some serious gains. To do this, I'd need a way of sampling from the first softmax. Once I have a sample, I can get the embedding of the sampled class, continue as normal, and hopefully propagate the loss through everything. Are there any similar examples I can look at? Is there a term for this in the literature? submitted by /u/geomtry [link] [comments]  ( 44 min )

My friends and I were really excited to try out ChatGPT when it was released. We were amazed by its power and capabilities. We were thinking how great it would be if people could use ChatGPT to ask questions from their own data. So me and my friends had decided to build such a tool. We are delighted to announce that we are releasing a public beta of our tool> After you upload all your pdf files into it. It can search for relevant documents without perfect keyword match, summarize takeaways from the document specific to your question, and extract key information from the document. It can help with brainstorming and summarization. We would love if you try it out and let us know what you think about it. We look forward to hearing your feedback Link: https://askcorpora.com submitted by /u/Brian-Hose225 [link] [comments]  ( 43 min )

I recently had a disagreement with a friend and would like to hear other opinions. Say for a website, using the user actions for first week period, we want to predict total sales within 3 weeks. But one of the inputs is sales in the first week, so the output -total sales of 3 weeks- is including the sales in the first week. Is it ok to choose this output? Or should we adjust it in a way to prevent it from overlapping with the input time period and choose for ex. sales within 2 weeks after the first week for output What is the reasoning? submitted by /u/dencan06 [link] [comments]  ( 43 min )

https://www.theverge.com/2023/2/7/23587454/microsoft-bing-edge-chatgpt-ai submitted by /u/currentscurrents [link] [comments]  ( 44 min )

Or is it someone else (who just may or may not be as well known)? submitted by /u/wonderingandthinking [link] [comments]  ( 44 min )

I am dealing with a multi-class classification problem. I know one of the main assumption of this problem is that the classes are mutually exclusive. However, I realized that in my problem, some of these classes may happen together. So my problem is not an entirely a milt-class nor a multi-label. One solution is to relax the exclusivity assumption and fit a model, however, I am not sure how realistic is that. I was wondering if there is a better way to approach this problem? Briefly, the problem is in ads domain where a user can do task A or B after seeing an ad or can do both A&B at the same time. submitted by /u/hopedallas [link] [comments]  ( 43 min )

Hey everyone, I want to make a personal voice assistant who sounds exactly like a real person. I tried some TTS like tortoise TTS and coqui TTS, it done a good job but it takes too long time to perform. So is there any other good realistic sounding TTS which I can use with my own voice cloning training dataset? Also I'm a bit amazed by the TTS used by eleven labs, so can someone explain how can I achieve that level of real-time efficiency in a voice assistant? submitted by /u/akshaysri0001 [link] [comments]  ( 43 min )

Manufacturing 4.0 is undergoing a revolution with the integration of Artificial Intelligence (AI). AI is poised to revolutionize the process industry, where controlling input variables leads to an output. The current process industry, including pharmaceuticals, chemicals, and energy production, relies on human operators to turn knobs to achieve optimal output. However, this system is limited by several factors, including slow training, poor retention of large data sets, inaccurate sensors, and complex decision-making processes. ​ https://preview.redd.it/y6stc52zqsga1.png?width=734&format=png&auto=webp&s=c8f24ff9d7f7975380e6cd2fbb5021fce67c0e86 Here are some details about problems and AI solutions: 1) It takes forever to train this employee. This employee is running little mini experi…  ( 45 min )

From Article: Getty Images new lawsuit claims that Stability AI, the company behind Stable Diffusion's AI image generator, stole 12 million Getty images with their captions, metadata, and copyrights "without permission" to "train its Stable Diffusion algorithm." The company has asked the court to order Stability AI to remove violating images from its website and pay $150,000 for each. However, it would be difficult to prove all the violations. Getty submitted over 7,000 images, metadata, and copyright registration, used by Stable Diffusion. submitted by /u/vadhavaniyafaijan [link] [comments]  ( 49 min )

Basically I saw a stream the other day where someone used data from a person's YouTube channel and somehow used this data to create an AI version of them and interviewed them. It was fascinating and pretty accurate How difficult would this be to do myself? I don't even know where to start. Does anyone have any pointers? Is this a very large task that I'm underestimating or is it actually feasible? Here is the stream in question. The video and audio would be cool to have but I mean that's not necessary, even just having the text aspect would be pretty wild on its own. https://youtu.be/hjoYy5IVtfo (skip to any point, most of it is filled with the bot responding) submitted by /u/cobalt1137 [link] [comments]  ( 43 min )

I have a problem I need to solve that, as far as I can tell, doesn't fit very well into most of the existing RL literature. Essentially the task is to create on optimal plan over a time horizon extending a flexible number of steps into the future. The action space is both discrete and continuous - there are multiple available distinct actions, some of which need to be given continuous (but constrained) parameters. In this problem however, the state of the environment is known ahead of time for all the future time steps, and the updated state of the agent after each action can be calculated deterministically given the action and the environment state. Modelling the entire problem as a MILP is not feasible due to the size of the action and state space, and we have a very large data set for agent and environment state to play with. Does anyone have any suggestions for papers or models that might be appropriate for this scenario? submitted by /u/EmbarrassedFuel [link] [comments]  ( 44 min )

Going beyond Transformers? 🤖 In this article, I'm discussing how we can use the power of hybrid architecture, i.e., marrying deep learning with symbolic artificial intelligence, for implementing different kinds of Transformers. Including the one used in GPT-3! https://towardsdatascience.com/beyond-transformers-with-pyneuralogic-10b70cdc5e45 ​ ​ The attention computation graph visualized submitted by /u/Lukas_Zahradnik [link] [comments]  ( 42 min )

I thought it may be useful to gather the most popular repositories for data scientists. The goal is to read excellent code and learn from other projects. Please provide a short description of the project. submitted by /u/Illustrious-Law-2556 [link] [comments]  ( 42 min )

I would like to know what are some of the best practice is to convert pytorch to embedded C (bare metal micro-controllers) during A. initial phase and B. for deployment. A. Initial phase is to understand the profiling of the model performance (RAM usage and processing time) for a targetted hardware. I understand that Tensorflow lite might be the best route for initial profiling but there are restrictions. It will be great if you could tell the framework that you follow. Currently framework: 1. Pytorch -> 2. ONNX -> 3. Keras -> 4. Tensorflowlite or 5. Tensorflowlite micro B. Deployment is to run inference for production in a targetted hardware. I think hand coding in C is the best way. Please ignore optimisation techniques in the workflow for simplicity. submitted by /u/ramv0001 [link] [comments]  ( 43 min )

I know there are no useful text-to-music generators (YET), but is there at least a model where you can upload/input a recording and get a text description/hashtag list from it? Like a reverse MusicML? I have a very large personal catalog of music I am prepping for sale (approaching 500 songs), and this would be a very handy tool, especially if it came up with tags of genres/similar artists I am not aware of. submitted by /u/dreternal [link] [comments]  ( 43 min )

I am looking for papers that inject information into LMs directly using embeddings (without formatting information as text). I find it notoriously hard to search for these paper because they could come from various different domains, so I thought asking here might be a good option to reach people from many different domains. Some examples I already found are from the domain of knowledge graph augmented LMs: ERNIE https://arxiv.org/abs/1904.09223 K-BERT https://arxiv.org/abs/1909.07606 Prefix Tuning / Prompt Tuning are also somewhat similar to the idea, but they dont depend on any external information. Can you think of other papers that inject additional information into LMs via embeddings? submitted by /u/_Arsenie_Boca_ [link] [comments]  ( 44 min )

📢 News 📢 Pythae 0.1.0 is now out and supports distributed training using PyTorch DDP ! Train your favorite Variational Autoencoders (VAEs) faster 🏎️ and on larger datasets, still with a few lines of code 🖥️. 👉github: https://github.com/clementchadebec/benchmark_VAE 👉pypi: https://pypi.org/project/pythae/ https://preview.redd.it/jk4ukkgarpga1.png?width=1335&format=png&auto=webp&s=07c1ab2eaad104879637ad04472935d87baa31e9 submitted by /u/cchad-8 [link] [comments]  ( 43 min )

hi all! I created a simple free tool where you can summarize and query documents of any size and estimate the cost to do so: https://www.wrotescan.com You can edit the prompts as well as automatically chunk and combine documents. There's also a cost estimator for any pdf you upload. Let me know if you want me to run some examples for you! Send me a pdf and tell me what you'd like summarized or extracted. Tips Please be sure to keep {text} in both prompts or the program will not input your document's text into the map reduce summarizer. {text} can only appear once in each prompt. It is where the text from each chunk to be summarized is input into the prompts. Create a temporary OpenAI key / org to use with this site so you do not have to provide credit card information then be sure to delete the temp key when you are done. Learnings Some interesting learnings I had while creating the tool: - Minimizing the number of steps through the AI improved summarization, so map reduce was often better than a more advanced refine workflow which passes the output through the model many more times. - LangChain is great for managing multiple step language model calls and bypassing the current limitations of ChatGPT submitted by /u/aicharades [link] [comments]  ( 50 min )

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Hey guys, I’m the co-founder of a tech startup focused on providing free AI services. We’re one of the first mobile multipurpose AI apps. We’ve developed a pretty cool app that offers AI services like image generation, code generation, image captioning, and more for free. We’re sort of like a Swiss Army knife of generative and analytical AI. We’ve released a new feature called AAIA (Ask AI Anything), which is capable of answering all types of questions, even requests to generate literature, story-lines, jokes, general information, etc. We’d love to have some people try it out, give us feedback, and keep in touch with us. https://apps.apple.com/us/app/bright-eye/id1593932475 submitted by /u/BrightEyeuser [link] [comments]  ( 41 min )

Developers, have you ever found yourself stuck on a problem, searching through countless pages of outdated documentation, only to end up in a developer community asking for help? We know the feeling all too well. In response, we created https://www.mendable.ai/. Mendable is a GPT-3 (davinci + LangChain) powered developer support AI, designed to provide you with customized answers to your problems in real-time. We believe that developer-facing documentation should be tailored to the individual. We ingest documentation, community messages, and resources (blog posts, how-to guides, white papers, etc.) to serve as a middle-man between the entire knowledge base of a piece of software and you, resulting in a GPT like docs search. Our goal is to redefine search, making it easier for you to find the information you need, when you need it. Wasting time searching through outdated documentation is something that should be in the past. If you want to learn more about what we’re doing, feel free to visit our website and hit us up! submitted by /u/SideGuideDevs [link] [comments]  ( 41 min )

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Hello everyone! Have you heard of Jasper AI, the new copywriting software that promises to revolutionize the way we create content? In today's fast-paced world, time is a precious commodity, and finding ways to streamline our work is crucial. That's where Jasper AI comes in - it claims to be a one-stop-shop for all your copywriting needs. But is it worth the hype? First things first, what exactly is Jasper AI? It's an artificial intelligence tool that uses machine learning algorithms to generate high-quality, unique and compelling content for your website, social media, email, and other marketing channels. All you have to do is input the desired tone and style, topic, and target audience, and Jasper AI will generate a complete copy for you. It's like having a team of copywriters working …  ( 43 min )

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https://medium.com/seeds-for-the-future/the-next-step-for-generative-ai-830112890d04?sk=1d6b4c96cc6cb0a4690bcf9df0d12bcc submitted by /u/arnolds112 [link] [comments]  ( 40 min )

i want to listen or read or watch something that predicts all the bad things (maybe in the guise of good) like how unabomber wrote his manifesto for the technological revolution but for the ai revolution submitted by /u/tonyhyeok [link] [comments]  ( 41 min )

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Good content is key no matter what type of website or business you run, from blogs to SaaS tools or service based companies. Not only will it help you to rank higher in Google for the relevant keywords, but it also helps to attract visitors by providing them something of value for free to convert them into your funnel with a newsletter or free trial. Usually creating this content either required a lot of time, a lot of money, or both. That is why I launched https://writeseed.com It is powered by GPT-3 to create content for you with the help of AI. You only need to provide it with a general niche or keyword and it will provide you with a selection of blog post outlines, which are then used to write a complete 1,000+ word article. You also get a free stock photo which is relevant to the topic each time. The quality of the content is so good, I often get the feedback that people are surprised this is possible at all. We achieve these results by using our own proprietary fine-tuning, as well as a special way of processing your input and the output from GPT-3. It took me half a year of research and comparing the outputs of other AI writing tools to get to this point and I am really proud of the result. Besides blog articles the platform offers over 20 templates of content, from product descriptions to Tweets, cold emails, Quora answers, questions, jokes, stories, paraphrasing or summarizing your existing content, auto-correct spelling and grammar, press releases, real-estate listings. And we continuously add new templates to cover even more use-cases. On top of that we are one of the very few, maybe the only tool, which offers you unlimited content for a flat monthly price. Some of our users are creating 200+ full-length articles per month to rank their websites or run Amazon product blogs. Please give it a try with the 7-day free trial, of course you can also create unlimited content during the free trial! submitted by /u/spacpro [link] [comments]  ( 44 min )

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​ https://preview.redd.it/nidkmqbtsnga1.png?width=1536&format=png&auto=webp&s=27719de8800d612139e93fe177e2fa63f03f4e0e https://www.twitch.tv/ai_media ​ Help me to learn by chatting with me! submitted by /u/BlueBug02 [link] [comments]  ( 40 min )

I was wondering: how to deal with a game like RPGs and card games where you have both a planning phase (character building for RPGs and deck building for card games) and an execution phase (actually playing through a battle or a card duel)? The most obvious approach to me is making two different models, but their successes are highly correlated, i.e. a model can play a RPG battle and lose mostly because of the pre-selected equipments/skills or it can win despite the poor choice of character building. How to deal with this problem? Do you know any "success case" where I can see how they dealt with it? Thank you very much! submitted by /u/victorsevero [link] [comments]  ( 41 min )

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Really elementary question, but are there applications where people have shown interesting results by just solving a prediction problem (evaluate a policy) instead of solving a control problem (find the optimal policy)? It seems like control applications are more popular, but perhaps I'm missing something very obvious. Phrased differently, when would you want to do prediction without doing control? submitted by /u/wardellinthehouse [link] [comments]  ( 41 min )

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I’m doing the RL specialization from university of alberta and just ran into this question. I think that it is false, because although the policy may be greedy to its own value function, the value function might not be always optimal, you would need to iterate through it some times in order to make it optimal, or close to it. The course says that “If a policy is greedy with respect to its own value function, it follows from the policy improvement theorem and the Bellman optimality equation that it must be an optimal policy. How does that make sense if the value function is not the optimal one? Thanks in advance submitted by /u/enzodtz [link] [comments]  ( 44 min )

I have 512 input nodes which all have a float value and an associated classification (0 or 1). I believe I need 512 output layers which correspond to the classification of each input node. Can anyone give me some guidance into an approach I can use for this to get this done? I know that’s not a lot to go on but any help is appreciated, I am using tensorflow by the way. Thank you. submitted by /u/waysteman [link] [comments]  ( 41 min )

This post is co-written with Stephen Aylward, Matt McCormick, Brianna Major from Kitware and Justin Kirby from the Frederick National Laboratory for Cancer Research (FNLCR). Amazon SageMaker Studio Lab provides no-cost access to a machine learning (ML) development environment to everyone with an email address. Like the fully featured Amazon SageMaker Studio, Studio Lab allows […]  ( 8 min )

Amazon SageMaker has announced the support of three new completion criteria for Amazon SageMaker automatic model tuning, providing you with an additional set of levers to control the stopping criteria of the tuning job when finding the best hyperparameter configuration for your model. In this post, we discuss these new completion criteria, when to use them, and […]  ( 8 min )

I had so much fun getting GPT-3 to generate simple one-line Valentine's Day cards last year that this year I decided to see if I could generate cards with more complicated messages. I focused on the classic "roses are red, violets are blue" rhyme, figuring that  ( 5 min )

AI Weirdness: the strange side of machine learning  ( 2 min )

Posted by Sanjiv Kumar, VP and Google Fellow, Google Research (This is Part 4 in our series of posts covering different topical areas of research at Google. You can find other posts in the series here.) The explosion in deep learning a decade ago was catapulted in part by the convergence of new algorithms and architectures, a marked increase in data, and access to greater compute. In the last 10 years, AI and ML models have become bigger and more sophisticated — they’re deeper, more complex, with more parameters, and trained on much more data, resulting in some of the most transformative outcomes in the history of machine learning. As these models increasingly find themselves deployed in production and business applications, the efficiency and costs of these models has gon…  ( 97 min )

Announcements Machine Learning Controversy: From No-Code to No-Math One controversial topic in machine learning circles is code versus no-code. Can you be a real data scientist if you don’t code? Of course you can: You may be leveraging platforms and the code is one or two layers below the responsibilities of your job. Maybe you… Read More »DSC Weekly 7 February 2023 – Machine Learning Controversy: From No-Code to No-Math The post DSC Weekly 7 February 2023 – Machine Learning Controversy: From No-Code to No-Math appeared first on Data Science Central.  ( 21 min )

Digital marketing has become an efficient practice for growing and established businesses to promote their products and services. More and more organizations depend on digital channels to connect with customers and generate a vast customer base.  Because of its growing popularity, different digital marketing trends will reign in 2023. If businesses can pay attention to… Read More »Top 8 Digital Marketing Trends That’ll Make a Comeback in 2023 The post Top 8 Digital Marketing Trends That’ll Make a Comeback in 2023 appeared first on Data Science Central.  ( 20 min )

Data labeling and/or data annotation has long been a critical component of many machine learning and AI initiatives. In recent years, the demand for accurate and reliable data labeling has risen dramatically as the process becomes increasingly vital to the success of numerous projects. But what is data labeling exactly? Data Labeling 2023 – how… Read More »The Impact of Data Labeling 2023: Current Trends & Future Demands The post The Impact of Data Labeling 2023: Current Trends & Future Demands appeared first on Data Science Central.  ( 22 min )

If you look around, you’ll observe we have apps for everything. They’re like food, and we consume every bit of it. If you have a business, you must consider app development along with a website. Well, you’re at the right place. The app development journey can be overwhelming as it comes with tons of responsibilities,… Read More »A Quick Guide To iOS And Android App development In 2023 The post A Quick Guide To iOS And Android App development In 2023 appeared first on Data Science Central.  ( 22 min )

Mobile Apps to Develop Your Data Science Skills -Mobile phones are the most preferred medium of accomplishing minute-to-minutest tasks on a daily basis. We don’t need to visit any particular restaurant to take away the food, we can do this by just sitting on our favorite couch at home, thanks to food ordering apps. Not… Read More »Best 9 Mobile Apps to Develop Your Data Science Skills in 2023 The post Best 9 Mobile Apps to Develop Your Data Science Skills in 2023 appeared first on Data Science Central.  ( 23 min )

The Internet of Things (IoT) has been all the rage in the world for quite some time now. And understandably so, especially considering the many benefits it brings to the table. It has rendered the technology a lucrative choice for small-to-mid-sized enterprises (SMEs). Why so? Well, here are some of the benefits of IoT for… Read More »Top Benefits of IoT for SMEs The post Top Benefits of IoT for SMEs appeared first on Data Science Central.  ( 19 min )

Doctors rarely make diagnoses based on a single factor — they look at a mix of data types, such as a patient’s symptoms, laboratory and radiology reports, and medical history. VinBrain, a Vietnam-based health-tech startup, is ensuring that AI diagnostics can take a similarly holistic view across vital signs, blood tests, medical images and more. Read article >  ( 6 min )

Suppose you are trying to approximate some number x and you’ve got it sandwiched between two rational numbers: a/b < x < c/d. Now you’d like a better approximation. What would you do? The obvious approach would be to take the average of a/b and c/d. That’s fine, except it could be a fair amount […] Mediant approximation trick first appeared on John D. Cook.  ( 6 min )

A new study shows how large language models like GPT-3 can learn a new task from just a few examples, without the need for any new training data.  ( 10 min )

Proteins power a vast array of functional processes in living cells. The capability to create new proteins with designed structures and functions would thus enable the engineering of cellular behavior and development of protein-based therapeutics and materials. Structure-based protein design aims to find structures that are designable (can be realized by a protein sequence), novel (have dissimilar geometry from natural proteins), and diverse (span a wide range of geometries). While advances in protein structure prediction have made it possible to predict structures of novel protein sequences, the combinatorially large space of sequences and structures limits the practicality of search-based methods. Generative models provide a compelling alternative, by implicitly learning the low-dimensional structure of complex data distributions. Here, we leverage recent advances in denoising diffusion probabilistic models and equivariant neural networks to develop Genie, a generative model of protein structures that performs discrete-time diffusion using a cloud of oriented reference frames in 3D space. Through in silico evaluations, we demonstrate that Genie generates protein backbones that are more designable, novel, and diverse than existing models. This indicates that Genie is capturing key aspects of the distribution of protein structure space and facilitates protein design with high success rates. Code for generating new proteins and training new versions of Genie is available at https://github.com/aqlaboratory/genie.  ( 2 min )

Deep Graph Networks (DGNs) currently dominate the research landscape of learning from graphs, due to their efficiency and ability to implement an adaptive message-passing scheme between the nodes. However, DGNs are typically limited in their ability to propagate and preserve long-term dependencies between nodes, i.e., they suffer from the over-squashing phenomena. This reduces their effectiveness, since predictive problems may require to capture interactions at different, and possibly large, radii in order to be effectively solved. In this work, we present Anti-Symmetric Deep Graph Networks (A-DGNs), a framework for stable and non-dissipative DGN design, conceived through the lens of ordinary differential equations. We give theoretical proof that our method is stable and non-dissipative, leading to two key results: long-range information between nodes is preserved, and no gradient vanishing or explosion occurs in training. We empirically validate the proposed approach on several graph benchmarks, showing that A-DGN yields to improved performance and enables to learn effectively even when dozens of layers are used.  ( 2 min )

Knowledge Extraction (KE), aiming to extract structural information from unstructured texts, often suffers from data scarcity and emerging unseen types, i.e., low-resource scenarios. Many neural approaches to low-resource KE have been widely investigated and achieved impressive performance. In this paper, we present a literature review towards KE in low-resource scenarios, and systematically categorize existing works into three paradigms: (1) exploiting higher-resource data, (2) exploiting stronger models, and (3) exploiting data and models together. In addition, we highlight promising applications and outline some potential directions for future research. We hope that our survey can help both the academic and industrial communities to better understand this field, inspire more ideas, and boost broader applications.  ( 2 min )

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.  ( 2 min )

Reasoning on large-scale knowledge graphs has been long dominated by embedding methods. While path-based methods possess the inductive capacity that embeddings lack, they suffer from the scalability issue due to the exponential number of paths. Here we present A*Net, a scalable path-based method for knowledge graph reasoning. Inspired by the A* algorithm for shortest path problems, our A*Net learns a priority function to select important nodes and edges at each iteration, to reduce time and memory footprint for both training and inference. The ratio of selected nodes and edges can be specified to trade off between performance and efficiency. Experiments on both transductive and inductive knowledge graph reasoning benchmarks show that A*Net achieves competitive performance with existing state-of-the-art path-based methods, while merely visiting 10% nodes and 10% edges at each iteration. On a million-scale dataset ogbl-wikikg2, A*Net achieves competitive performance with embedding methods and converges faster. To our best knowledge, A*Net is the first path-based method for knowledge graph reasoning at such a scale.  ( 2 min )

Deep Learning (DL) has achieved automatic and objective assessment of surgical skills. However, DL models are data-hungry and restricted to their training domain. This prevents them from transitioning to new tasks where data is limited. Hence, domain adaptation is crucial to implement DL in real life. Here, we propose a meta-learning model, A-VBANet, that can deliver domain-agnostic surgical skill classification via one-shot learning. We develop the A-VBANet on five laparoscopic and robotic surgical simulators. Additionally, we test it on operating room (OR) videos of laparoscopic cholecystectomy. Our model successfully adapts with accuracies up to 99.5% in one-shot and 99.9% in few-shot settings for simulated tasks and 89.7% for laparoscopic cholecystectomy. For the first time, we provide a domain-agnostic procedure for video-based assessment of surgical skills. A significant implication of this approach is that it allows the use of data from surgical simulators to assess performance in the operating room.  ( 2 min )

This work explores an efficient approach to establish a foundational video-text model for tasks including open-vocabulary video classification, text-to-video retrieval, video captioning and video question-answering. We present VideoCoCa that reuses a pretrained image-text contrastive captioner (CoCa) model and adapt it to video-text tasks with minimal extra training. While previous works adapt image-text models with various cross-frame fusion modules (for example, cross-frame attention layer or perceiver resampler) and finetune the modified architecture on video-text data, we surprisingly find that the generative attentional pooling and contrastive attentional pooling layers in the image-text CoCa design are instantly adaptable to "flattened frame embeddings", yielding a strong zero-shot transfer baseline for many video-text tasks. Specifically, the frozen image encoder of a pretrained image-text CoCa takes each video frame as inputs and generates $N$ token embeddings per frame for totally $T$ video frames. We flatten $(N \times T)$ token embeddings as a long sequence of frozen video representation and apply CoCa's generative attentional pooling and contrastive attentional pooling on top. All model weights including pooling layers are directly loaded from an image-text CoCa pretrained model. Without any video or video-text data, VideoCoCa's zero-shot transfer baseline already achieves state-of-the-art results on zero-shot video classification on Kinetics 400/600/700, UCF101, HMDB51, and Charades, as well as zero-shot text-to-video retrieval on MSR-VTT, ActivityNet Captions and VATEX. We also explore lightweight finetuning on top of VideoCoCa, and achieve strong results on video question-answering (iVQA, MSRVTT-QA, MSVD-QA, ActivityNet-QA) and video captioning (MSR-VTT, ActivityNet, VATEX, Youcook2). Our approach establishes a simple video-text baseline for future research.  ( 2 min )

Deep generative models have gained popularity in recent years due to their ability to accurately replicate inherent empirical distributions and yield novel samples. In particular, certain advances are proposed wherein the model engenders data examples following specified attributes. Nevertheless, several challenges still exist and are to be overcome, i.e., difficulty in extrapolating out-of-sample data and insufficient learning of disentangled representations. Structural causal models (SCMs), on the other hand, encapsulate the causal factors that govern a generative process and characterize a generative model based on causal relationships, providing crucial insights for addressing the current obstacles in deep generative models. In this paper, we present a comprehensive survey of Causal deep Generative Models (CGMs), which combine SCMs and deep generative models in a way that boosts several trustworthy properties such as robustness, fairness, and interpretability. We provide an overview of the recent advances in CGMs, categorize them based on generative types, and discuss how causality is introduced into the family of deep generative models. We also explore potential avenues for future research in this field.  ( 2 min )

In machine learning, the selection of a promising model from a potentially large number of competing models and the assessment of its generalization performance are critical tasks that need careful consideration. Typically, model selection and evaluation are strictly separated endeavors, splitting the sample at hand into a training, validation, and evaluation set, and only compute a single confidence interval for the prediction performance of the final selected model. We however propose an algorithm how to compute valid lower confidence bounds for multiple models that have been selected based on their prediction performances in the evaluation set by interpreting the selection problem as a simultaneous inference problem. We use bootstrap tilting and a maxT-type multiplicity correction. The approach is universally applicable for any combination of prediction models, any model selection strategy, and any prediction performance measure that accepts weights. We conducted various simulation experiments which show that our proposed approach yields lower confidence bounds that are at least comparably good as bounds from standard approaches, and that reliably reach the nominal coverage probability. In addition, especially when sample size is small, our proposed approach yields better performing prediction models than the default selection of only one model for evaluation does.  ( 3 min )

In offline reinforcement learning (RL), one detrimental issue to policy learning is the error accumulation of deep Q function in out-of-distribution (OOD) areas. Unfortunately, existing offline RL methods are often over-conservative, inevitably hurting generalization performance outside data distribution. In our study, one interesting observation is that deep Q functions approximate well inside the convex hull of training data. Inspired by this, we propose a new method, DOGE (Distance-sensitive Offline RL with better GEneralization). DOGE marries dataset geometry with deep function approximators in offline RL, and enables exploitation in generalizable OOD areas rather than strictly constraining policy within data distribution. Specifically, DOGE trains a state-conditioned distance function that can be readily plugged into standard actor-critic methods as a policy constraint. Simple yet elegant, our algorithm enjoys better generalization compared to state-of-the-art methods on D4RL benchmarks. Theoretical analysis demonstrates the superiority of our approach to existing methods that are solely based on data distribution or support constraints.  ( 2 min )

As the scales of neural networks increase, techniques that enable them to run with low computational cost and energy efficiency are required. From such demands, various efficient neural network paradigms, such as spiking neural networks (SNNs) or binary neural networks (BNNs), have been proposed. However, they have sticky drawbacks, such as degraded inference accuracy and latency. To solve these problems, we propose a single-step spiking neural network (S$^3$NN), an energy-efficient neural network with low computational cost and high precision. The proposed S$^3$NN processes the information between hidden layers by spikes as SNNs. Nevertheless, it has no temporal dimension so that there is no latency within training and inference phases as BNNs. Thus, the proposed S$^3$NN has a lower computational cost than SNNs that require time-series processing. However, S$^3$NN cannot adopt na\"{i}ve backpropagation algorithms due to the non-differentiability nature of spikes. We deduce a suitable neuron model by reducing the surrogate gradient for multi-time step SNNs to a single-time step. We experimentally demonstrated that the obtained surrogate gradient allows S$^3$NN to be trained appropriately. We also showed that the proposed S$^3$NN could achieve comparable accuracy to full-precision networks while being highly energy-efficient.  ( 2 min )

This paper proposes a novel framework for certifying the fairness of predictive models trained on biased data. It draws from query answering for incomplete and inconsistent databases to formulate the problem of consistent range approximation (CRA) of fairness queries for a predictive model on a target population. The framework employs background knowledge of the data collection process and biased data, working with or without limited statistics about the target population, to compute a range of answers for fairness queries. Using CRA, the framework builds predictive models that are certifiably fair on the target population, regardless of the availability of external data during training. The framework's efficacy is demonstrated through evaluations on real data, showing substantial improvement over existing state-of-the-art methods.  ( 2 min )

We introduce Nocturne, a new 2D driving simulator for investigating multi-agent coordination under partial observability. The focus of Nocturne is to enable research into inference and theory of mind in real-world multi-agent settings without the computational overhead of computer vision and feature extraction from images. Agents in this simulator only observe an obstructed view of the scene, mimicking human visual sensing constraints. Unlike existing benchmarks that are bottlenecked by rendering human-like observations directly using a camera input, Nocturne uses efficient intersection methods to compute a vectorized set of visible features in a C++ back-end, allowing the simulator to run at over 2000 steps-per-second. Using open-source trajectory and map data, we construct a simulator to load and replay arbitrary trajectories and scenes from real-world driving data. Using this environment, we benchmark reinforcement-learning and imitation-learning agents and demonstrate that the agents are quite far from human-level coordination ability and deviate significantly from the expert trajectories.

Machine learning models have been employed to perform either physics-free data-driven or hybrid dynamical downscaling of climate data. Most of these implementations operate over relatively small downscaling factors because of the challenge of recovering fine-scale information from coarse data. This limits their compatibility with many global climate model outputs, often available between $\sim$50--100 km resolution, to scales of interest such as cloud resolving or urban scales. This study systematically examines the capability of convolutional neural networks (CNNs) to downscale surface wind speed data over land surface from different coarse resolutions (25 km, 48 km, and 100 km resolution) to 3 km. For each downscaling factor, we consider three CNN configurations that generate super-resolved predictions of fine-scale wind speed, which take between 1 to 3 input fields: coarse wind speed, fine-scale topography, and diurnal cycle. In addition to fine-scale wind speeds, probability density function parameters are generated, through which sample wind speeds can be generated accounting for the intrinsic stochasticity of wind speed. For generalizability assessment, CNN models are tested on regions with different topography and climate that are unseen during training. The evaluation of super-resolved predictions focuses on subgrid-scale variability and the recovery of extremes. Models with coarse wind and fine topography as inputs exhibit the best performance compared with other model configurations, operating across the same downscaling factor. Our diurnal cycle encoding results in lower out-of-sample generalizability compared with other input configurations.  ( 2 min )

Counterfactual invariance has proven an essential property for predictors that are fair, robust, and generalizable in the real world. We propose a general definition of counterfactual invariance and provide simple graphical criteria that yield a sufficient condition for a predictor to be counterfactually invariant in terms of (conditional independence in) the observational distribution. Any predictor that satisfies our criterion is provably counterfactually invariant. In order to learn such predictors, we propose a model-agnostic framework, called Counterfactual Invariance Prediction (CIP), based on a kernel-based conditional dependence measure called Hilbert-Schmidt Conditional Independence Criterion (HSCIC). Our experimental results demonstrate the effectiveness of CIP in enforcing counterfactual invariance across various types of data including tabular, high-dimensional, and real-world dataset.  ( 2 min )

Deep learning has achieved remarkable success in learning representations for molecules, which is crucial for various biochemical applications, ranging from property prediction to drug design. However, training Deep Neural Networks (DNNs) from scratch often requires abundant labeled molecules, which are expensive to acquire in the real world. To alleviate this issue, tremendous efforts have been devoted to Molecular Pre-trained Models (MPMs), where DNNs are pre-trained using large-scale unlabeled molecular databases and then fine-tuned over specific downstream tasks. Despite the prosperity, there lacks a systematic review of this fast-growing field. In this paper, we present the first survey that summarizes the current progress of MPMs. We first highlight the limitations of training molecular representation models from scratch to motivate MPM studies. Next, we systematically review recent advances on this topic from several key perspectives, including molecular descriptors, encoder architectures, pre-training strategies, and applications. We also highlight the challenges and promising avenues for future research, providing a useful resource for both machine learning and scientific communities.  ( 2 min )

Generating complex behaviors that satisfy the preferences of non-expert users is a crucial requirement on AI agents. Interactive reward learning from trajectory comparisons is one way to allow non-expert users to convey complex objectives by expressing preferences over short clips of agent behaviors. Even though this parametric method can encode complex tacit knowledge present in the underlying tasks, it implicitly assumes that the human is unable to provide richer feedback than binary preference labels, leading to intolerably high feedback complexity and poor user experience. While providing a detailed symbolic closed-form specification of the objectives might be tempting, it is not always feasible even for an expert user. However, in most cases, humans are aware of how the agent should change its behavior along meaningful axes to fulfill their underlying purpose, even if they are not able to fully specify task objectives symbolically. Using this as motivation, we introduce the notion of Relative Behavioral Attributes, which allows the users to tweak the agent behavior through symbolic concepts (e.g., increasing the softness or speed of agents' movement). We propose two practical methods that can learn to model any kind of behavioral attributes from ordered behavior clips. We demonstrate the effectiveness of our methods on four tasks with nine different behavioral attributes, showing that once the attributes are learned, end users can produce desirable agent behaviors relatively effortlessly, by providing feedback just around ten times. This is over an order of magnitude less than that required by the popular learning-from-human-preferences baselines. The supplementary video and source code are available at: https://guansuns.github.io/pages/rba.

Spurious correlations, or correlations that change across domains where a model can be deployed, present significant challenges to real-world applications of machine learning models. However, such correlations are not always "spurious"; often, they provide valuable prior information for a prediction. Here, we present a test-time adaptation method that exploits the spurious correlation phenomenon, in contrast to recent approaches that attempt to eliminate spurious correlations through invariance. We consider situations where the prior distribution $p(y, z)$, which models the dependence between the class label $y$ and the "nuisance" factors $z$, may change across domains, but the generative model for features $p(\mathbf{x}|y, z)$ is constant. We note that this corresponds to an expanded version of the label shift assumption, where the labels now also include the nuisance factors $z$. Based on this observation, we train a classifier to predict $p(y, z|\mathbf{x})$ on the source distribution, and propose a test-time label shift correction that adapts to changes in the marginal distribution $p(y, z)$ using unlabeled samples from the target domain. We evaluate our method, which we call "Test-Time Label-Shift Adaptation" (TTLSA), on two different image datasets -- the CheXpert chest X-ray dataset and the Colored MNIST dataset -- and show a significant improvement over baseline methods. Code reproducing experiments is available at https://github.com/nalzok/test-time-label-shift .

Determining the state of a mobile robot is an essential building block of robot navigation systems. In this paper, we address the problem of estimating the robots pose in an indoor environment using 2D LiDAR data and investigate how modern environment models can improve gold standard Monte-Carlo localization (MCL) systems. We propose a neural occupancy field to implicitly represent the scene using a neural network. With the pretrained network, we can synthesize 2D LiDAR scans for an arbitrary robot pose through volume rendering. Based on the implicit representation, we can obtain the similarity between a synthesized and actual scan as an observation model and integrate it into an MCL system to perform accurate localization. We evaluate our approach on self-recorded datasets and three publicly available ones. We show that we can accurately and efficiently localize a robot using our approach surpassing the localization performance of state-of-the-art methods. The experiments suggest that the presented implicit representation is able to predict more accurate 2D LiDAR scans leading to an improved observation model for our particle filter-based localization. The code of our approach will be available at: https://github.com/PRBonn/ir-mcl.

A treatment policy defines when and what treatments are applied to affect some outcome of interest. Data-driven decision-making requires the ability to predict what happens if a policy is changed. Existing methods that predict how the outcome evolves under different scenarios assume that the tentative sequences of future treatments are fixed in advance, while in practice the treatments are determined stochastically by a policy and may depend for example on the efficiency of previous treatments. Therefore, the current methods are not applicable if the treatment policy is unknown or a counterfactual analysis is needed. To handle these limitations, we model the treatments and outcomes jointly in continuous time, by combining Gaussian processes and point processes. Our model enables the estimation of a treatment policy from observational sequences of treatments and outcomes, and it can predict the interventional and counterfactual progression of the outcome after an intervention on the treatment policy (in contrast with the causal effect of a single treatment). We show with real-world and semi-synthetic data on blood glucose progression that our method can answer causal queries more accurately than existing alternatives.

This paper examines social web content moderation from two key perspectives: automated methods (machine moderators) and human evaluators (human moderators). We conduct a noise audit at an unprecedented scale using nine machine moderators trained on well-known offensive speech data sets evaluated on a corpus sampled from 92 million YouTube comments discussing a multitude of issues relevant to US politics. We introduce a first-of-its-kind data set of vicarious offense. We ask annotators: (1) if they find a given social media post offensive; and (2) how offensive annotators sharing different political beliefs would find the same content. Our experiments with machine moderators reveal that moderation outcomes wildly vary across different machine moderators. Our experiments with human moderators suggest that (1) political leanings considerably affect first-person offense perspective; (2) Republicans are the worst predictors of vicarious offense; (3) predicting vicarious offense for the Republicans is most challenging than predicting vicarious offense for the Independents and the Democrats; and (4) disagreement across political identity groups considerably increases when sensitive issues such as reproductive rights or gun control/rights are discussed. Both experiments suggest that offense, is indeed, highly subjective and raise important questions concerning content moderation practices.  ( 2 min )

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.

We introduce SketchySGD, a stochastic quasi-Newton method that uses sketching to approximate the curvature of the loss function. SketchySGD improves upon existing stochastic gradient methods in machine learning by using randomized low-rank approximations to the subsampled Hessian and by introducing an automated stepsize that works well across a wide range of convex machine learning problems. We show theoretically that SketchySGD with a fixed stepsize converges linearly to a small ball around the optimum. Further, in the ill-conditioned setting we show SketchySGD converges at a faster rate than SGD for least-squares problems. We validate this improvement empirically with ridge regression experiments on real data. Numerical experiments on both ridge and logistic regression problems show that SketchySGD can achieve comparable or better results to popular stochastic gradient methods with minimal hyperparameter tuning. The robustness of SketchySGD to hyperparameters is an advantage over other stochastic gradient methods, most of which require careful hyperparameter tuning (especially of the learning rate) to obtain good performance.

We aim to automate decades of research and experience in register allocation, leveraging machine learning. We tackle this problem by embedding a multi-agent reinforcement learning algorithm within LLVM, training it with the state of the art techniques. We formalize the constraints that precisely define the problem for a given instruction-set architecture, while ensuring that the generated code preserves semantic correctness. We also develop a gRPC based framework providing a modular and efficient compiler interface for training and inference. Our approach is architecture independent: we show experimental results targeting Intel x86 and ARM AArch64. Our results match or out-perform the heavily tuned, production-grade register allocators of LLVM.  ( 2 min )

We propose MINT, a new Multilingual INTimacy analysis dataset covering 13,372 tweets in 10 languages including English, French, Spanish, Italian, Portuguese, Korean, Dutch, Chinese, Hindi, and Arabic. We benchmarked a list of popular multilingual pre-trained language models. The dataset is released along with the SemEval 2023 Task 9: Multilingual Tweet Intimacy Analysis (https://sites.google.com/umich.edu/semeval-2023-tweet-intimacy).

We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential $\varphi$. In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.

Antibody design is valuable for therapeutic usage and biological research. Existing deep-learning-based methods encounter several key issues: 1) incomplete context for Complementarity-Determining Regions (CDRs) generation; 2) incapability of capturing the entire 3D geometry of the input structure; 3) inefficient prediction of the CDR sequences in an autoregressive manner. In this paper, we propose Multi-channel Equivariant Attention Network (MEAN) to co-design 1D sequences and 3D structures of CDRs. To be specific, MEAN formulates antibody design as a conditional graph translation problem by importing extra components including the target antigen and the light chain of the antibody. Then, MEAN resorts to E(3)-equivariant message passing along with a proposed attention mechanism to better capture the geometrical correlation between different components. Finally, it outputs both the 1D sequences and 3D structure via a multi-round progressive full-shot scheme, which enjoys more efficiency and precision against previous autoregressive approaches. Our method significantly surpasses state-of-the-art models in sequence and structure modeling, antigen-binding CDR design, and binding affinity optimization. Specifically, the relative improvement to baselines is about 23% in antigen-binding CDR design and 34% for affinity optimization.

Testing black-box perceptual-control systems in simulation faces two difficulties. Firstly, perceptual inputs in simulation lack the fidelity of real-world sensor inputs. Secondly, for a reasonably accurate perception system, encountering a rare failure trajectory may require running infeasibly many simulations. This paper combines perception error models -- surrogates for a sensor-based detection system -- with state-dependent adaptive importance sampling. This allows us to efficiently assess the rare failure probabilities for real-world perceptual control systems within simulation. Our experiments with an autonomous braking system equipped with an RGB obstacle-detector show that our method can calculate accurate failure probabilities with an inexpensive number of simulations. Further, we show how choice of safety metric can influence the process of learning proposal distributions capable of reliably sampling high-probability failures.

This paper proposes a physically consistent Gaussian Process (GP) enabling the identification of uncertain Lagrangian systems. The function space is tailored according to the energy components of the Lagrangian and the differential equation structure, analytically guaranteeing physical and mathematical properties such as energy conservation and quadratic form. The novel formulation of Cholesky decomposed matrix kernels allow the probabilistic preservation of positive definiteness. Only differential input-to-output measurements of the function map are required while Gaussian noise is permitted in torques, velocities, and accelerations. We demonstrate the effectiveness of the approach in numerical simulation.

We consider the problem of episodic reinforcement learning where there are multiple stakeholders with different reward functions. Our goal is to output a policy that is socially fair with respect to different reward functions. Prior works have proposed different objectives that a fair policy must optimize including minimum welfare, and generalized Gini welfare. We first take an axiomatic view of the problem, and propose four axioms that any such fair objective must satisfy. We show that the Nash social welfare is the unique objective that uniquely satisfies all four objectives, whereas prior objectives fail to satisfy all four axioms. We then consider the learning version of the problem where the underlying model i.e. Markov decision process is unknown. We consider the problem of minimizing regret with respect to the fair policies maximizing three different fair objectives -- minimum welfare, generalized Gini welfare, and Nash social welfare. Based on optimistic planning, we propose a generic learning algorithm and derive its regret bound with respect to the three different policies. For the objective of Nash social welfare, we also derive a lower bound in regret that grows exponentially with $n$, the number of agents. Finally, we show that for the objective of minimum welfare, one can improve regret by a factor of $O(H)$ for a weaker notion of regret.

We consider the estimation of average treatment effects in observational studies and propose a new framework of robust causal inference with unobserved confounders. Our approach is based on distributionally robust optimization and proceeds in two steps. We first specify the maximal degree to which the distribution of unobserved potential outcomes may deviate from that of observed outcomes. We then derive sharp bounds on the average treatment effects under this assumption. Our framework encompasses the popular marginal sensitivity model as a special case, and we demonstrate how the proposed methodology can address a primary challenge of the marginal sensitivity model that it produces uninformative results when unobserved confounders substantially affect treatment and outcome. Specifically, we develop an alternative sensitivity model, called the distributional sensitivity model, under the assumption that heterogeneity of treatment effect due to unobserved variables is relatively small. Unlike the marginal sensitivity model, the distributional sensitivity model allows for potential lack of overlap and often produces informative bounds even when unobserved variables substantially affect both treatment and outcome. Finally, we show how to extend the distributional sensitivity model to difference-in-differences designs and settings with instrumental variables. Through simulation and empirical studies, we demonstrate the applicability of the proposed methodology.

Neural networks have demonstrated state-of-the-art performance in various machine learning fields. However, the introduction of malicious perturbations in input data, known as adversarial examples, has been shown to deceive neural network predictions. This poses potential risks for real-world applications such as autonomous driving and text identification. In order to mitigate these risks, a comprehensive understanding of the mechanisms underlying adversarial examples is essential. In this study, we demonstrate that adversarial perturbations contain human-recognizable information, which is the key conspirator responsible for a neural network's incorrect prediction, in contrast to the widely held belief that human-unidentifiable characteristics play a critical role in fooling a network. This concept of human-recognizable characteristics enables us to explain key features of adversarial perturbations, including their existence, transferability among different neural networks, and increased interpretability for adversarial training. We also uncover two unique properties of adversarial perturbations that deceive neural networks: masking and generation. Additionally, a special class, the complementary class, is identified when neural networks classify input images. The presence of human-recognizable information in adversarial perturbations allows researchers to gain insight into the working principles of neural networks and may lead to the development of techniques for detecting and defending against adversarial attacks.

We address the task of open-world class-agnostic object detection, i.e., detecting every object in an image by learning from a limited number of base object classes. State-of-the-art RGB-based models suffer from overfitting the training classes and often fail at detecting novel-looking objects. This is because RGB-based models primarily rely on appearance similarity to detect novel objects and are also prone to overfitting short-cut cues such as textures and discriminative parts. To address these shortcomings of RGB-based object detectors, we propose incorporating geometric cues such as depth and normals, predicted by general-purpose monocular estimators. Specifically, we use the geometric cues to train an object proposal network for pseudo-labeling unannotated novel objects in the training set. Our resulting Geometry-guided Open-world Object Detector (GOOD) significantly improves detection recall for novel object categories and already performs well with only a few training classes. Using a single "person" class for training on the COCO dataset, GOOD surpasses SOTA methods by 5.0% AR@100, a relative improvement of 24%.  ( 2 min )

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.  ( 2 min )

The practicality of reinforcement learning algorithms has been limited due to poor scaling with respect to the problem size, as the sample complexity of learning an $\epsilon$-optimal policy is $\tilde{\Omega}\left(|S||A|H^3 / \epsilon^2\right)$ over worst case instances of an MDP with state space $S$, action space $A$, and horizon $H$. We consider a class of MDPs for which the associated optimal $Q^*$ function is low rank, where the latent features are unknown. While one would hope to achieve linear sample complexity in $|S|$ and $|A|$ due to the low rank structure, we show that without imposing further assumptions beyond low rank of $Q^*$, if one is constrained to estimate the $Q$ function using only observations from a subset of entries, there is a worst case instance in which one must incur a sample complexity exponential in the horizon $H$ to learn a near optimal policy. We subsequently show that under stronger low rank structural assumptions, given access to a generative model, Low Rank Monte Carlo Policy Iteration (LR-MCPI) and Low Rank Empirical Value Iteration (LR-EVI) achieve the desired sample complexity of $\tilde{O}\left((|S|+|A|)\mathrm{poly}(d,H)/\epsilon^2\right)$ for a rank $d$ setting, which is minimax optimal with respect to the scaling of $|S|, |A|$, and $\epsilon$. In contrast to literature on linear and low-rank MDPs, we do not require a known feature mapping, our algorithm is computationally simple, and our results hold for long time horizons. Our results provide insights on the minimal low-rank structural assumptions required on the MDP with respect to the transition kernel versus the optimal action-value function.

Modern deep learning systems are increasingly deployed in situations such as personalization and federated learning where it is necessary to support i) learning on small amounts of data, and ii) communication efficient distributed training protocols. In this work, we develop FiLM Transfer (FiT) which fulfills these requirements in the image classification setting by combining ideas from transfer learning (fixed pretrained backbones and fine-tuned FiLM adapter layers) and meta-learning (automatically configured Naive Bayes classifiers and episodic training) to yield parameter efficient models with superior classification accuracy at low-shot. The resulting parameter efficiency is key for enabling few-shot learning, inexpensive model updates for personalization, and communication efficient federated learning. We experiment with FiT on a wide range of downstream datasets and show that it achieves better classification accuracy than the leading Big Transfer (BiT) algorithm at low-shot and achieves state-of-the art accuracy on the challenging VTAB-1k benchmark, with fewer than 1% of the updateable parameters. Finally, we demonstrate the parameter efficiency and superior accuracy of FiT in distributed low-shot applications including model personalization and federated learning where model update size is an important performance metric.

Recent progress in large-scale language models has enabled breakthroughs in previously intractable computer programming tasks. Prior work in meta-learning and neural architecture search has led to substantial successes across various task domains, spawning myriad approaches for algorithmically optimizing the design and learning dynamics of deep learning models. At the intersection of these research areas, we implement a code-generating language model with the ability to modify its own source code. Self-programming AI algorithms have been of interest since the dawn of AI itself. Although various theoretical formulations of generalized self-programming AI have been posed, no such system has been successfully implemented to date under real-world computational constraints. Applying AI-based code generation to AI itself, we develop and experimentally validate the first practical implementation of a self-programming AI system. We empirically show that a self-programming AI implemented using a code generation model can successfully modify its own source code to improve performance and program sub-models to perform auxiliary tasks. Our model can self-modify various properties including model architecture, computational capacity, and learning dynamics.  ( 2 min )

The increasing complexity and scale of machine learning (ML) has led to the need for more efficient collaboration among multiple teams. For example, when a research team invents a new architecture like "ResNet," it is desirable for multiple engineering teams to adopt it. However, the effort required for each team to study and understand the invention does not scale well with the number of teams or inventions. In this paper, we present an extension of our PyGlove library to easily and scalably share ML ideas. PyGlove represents ideas as symbolic rule-based patches, enabling researchers to write down the rules for models they have not seen. For example, an inventor can write rules that will "add skip-connections." This permits a network effect among teams: at once, any team can issue patches to all other teams. Such a network effect allows users to quickly surmount the cost of adopting PyGlove by writing less code quicker, providing a benefit that scales with time. We describe the new paradigm of organizing ML through symbolic patches and compare it to existing approaches. We also perform a case study of a large codebase where PyGlove led to an 80% reduction in the number of lines of code.  ( 2 min )

We study the fundamental problem of selecting optimal features for model construction. This problem is computationally challenging on large datasets, even with the use of greedy algorithm variants. To address this challenge, we extend the adaptive query model, recently proposed for the greedy forward selection for submodular functions, to the faster paradigm of Orthogonal Matching Pursuit for non-submodular functions. The proposed algorithm achieves exponentially fast parallel run time in the adaptive query model, scaling much better than prior work. Furthermore, our extension allows the use of downward-closed constraints, which can be used to encode certain fairness criteria into the feature selection process. We prove strong approximation guarantees for the algorithm based on standard assumptions. These guarantees are applicable to many parametric models, including Generalized Linear Models. Finally, we demonstrate empirically that the proposed algorithm competes favorably with state-of-the-art techniques for feature selection, on real-world and synthetic datasets.  ( 2 min )

Needle-in-a-Haystack problems exist across a wide range of applications including rare disease prediction, ecological resource management, fraud detection, and material property optimization. A Needle-in-a-Haystack problem arises when there is an extreme imbalance of optimum conditions relative to the size of the dataset. For example, only $0.82\%$ out of $146$k total materials in the open-access Materials Project database have a negative Poisson's ratio. However, current state-of-the-art optimization algorithms are not designed with the capabilities to find solutions to these challenging multidimensional Needle-in-a-Haystack problems, resulting in slow convergence to a global optimum or pigeonholing into a local minimum. In this paper, we present a Zooming Memory-Based Initialization algorithm, entitled ZoMBI. ZoMBI actively extracts knowledge from the previously best-performing evaluated experiments to iteratively zoom in the sampling search bounds towards the global optimum "needle" and then prunes the memory of low-performing historical experiments to accelerate compute times by reducing the algorithm time complexity from $O(n^3)$ to $O(\phi^3)$ for $\phi$ forward experiments per activation, which trends to a constant $O(1)$ over several activations. Additionally, ZoMBI implements two custom adaptive acquisition functions to further guide the sampling of new experiments toward the global optimum. We validate the algorithm's optimization performance on three real-world datasets exhibiting Needle-in-a-Haystack and further stress-test the algorithm's performance on an additional 174 analytical datasets. The ZoMBI algorithm demonstrates compute time speed-ups of 400x compared to traditional Bayesian optimization as well as efficiently discovering optima in under 100 experiments that are up to 3x more highly optimized than those discovered by similar methods MiP-EGO, TuRBO, and HEBO.

Objective: Exploit accelerometry data for an automatic, reliable, and prompt detection of spontaneous circulation during cardiac arrest, as this is both vital for patient survival and practically challenging. Methods: We developed a machine learning algorithm to automatically predict the circulatory state during cardiopulmonary resuscitation from 4-second-long snippets of accelerometry and electrocardiogram (ECG) data from pauses of chest compressions of real-world defibrillator records. The algorithm was trained based on 422 cases from the German Resuscitation Registry, for which ground truth labels were created by a manual annotation of physicians. It uses a kernelized Support Vector Machine classifier based on 49 features, which partially reflect the correlation between accelerometry and electrocardiogram data. Results: Evaluating 50 different test-training data splits, the proposed algorithm exhibits a balanced accuracy of 81.2%, a sensitivity of 80.6%, and a specificity of 81.8%, whereas using only ECG leads to a balanced accuracy of 76.5%, a sensitivity of 80.2%, and a specificity of 72.8%. Conclusion: The first method employing accelerometry for pulse/no-pulse decision yields a significant increase in performance compared to single ECG-signal usage. Significance: This shows that accelerometry provides relevant information for pulse/no-pulse decisions. In application, such an algorithm may be used to simplify retrospective annotation for quality management and, moreover, to support clinicians to assess circulatory state during cardiac arrest treatment.

Feature attribution methods are popular for explaining neural network predictions, and they are often evaluated on metrics such as comprehensiveness and sufficiency. In this paper, we highlight an intriguing property of these metrics: their solvability. Concretely, we can define the problem of optimizing an explanation for a metric, which can be solved by beam search. This observation leads to the obvious yet unaddressed question: why do we use explainers (e.g., LIME) not based on solving the target metric, if the metric value represents explanation quality? We present a series of investigations showing strong performance of this beam search explainer and discuss its broader implication: a definition-evaluation duality of interpretability concepts. We implement the explainer and release the Python solvex package for models of text, image and tabular domains.  ( 2 min )

Operational networks commonly rely on machine learning models for many tasks, including detecting anomalies, inferring application performance, and forecasting demand. Yet, model accuracy can degrade due to concept drift, whereby the relationship between the features and the target to be predicted changes. Mitigating concept drift is an essential part of operationalizing machine learning models in general, but is of particular importance in networking's highly dynamic deployment environments. In this paper, we first characterize concept drift in a large cellular network for a major metropolitan area in the United States. We find that concept drift occurs across many important key performance indicators (KPIs), independently of the model, training set size, and time interval -- thus necessitating practical approaches to detect, explain, and mitigate it. We then show that frequent model retraining with newly available data is not sufficient to mitigate concept drift, and can even degrade model accuracy further. Finally, we develop a new methodology for concept drift mitigation, Local Error Approximation of Features (LEAF). LEAF works by detecting drift; explaining the features and time intervals that contribute the most to drift; and mitigates it using forgetting and over-sampling. We evaluate LEAF against industry-standard mitigation approaches (notably, periodic retraining) with more than four years of cellular KPI data. Our initial tests with a major cellular provider in the US show that LEAF consistently outperforms periodic and triggered retraining on complex, real-world data while reducing costly retraining operations.  ( 2 min )

Although neural networks are widely used, it remains challenging to formally verify the safety and robustness of neural networks in real-world applications. Existing methods are designed to verify the network before deployment, which are limited to relatively simple specifications and fixed networks. These methods are not ready to be applied to real-world problems with complex and/or dynamically changing specifications and networks. To effectively handle such problems, verification needs to be performed online when these changes take place. However, it is still challenging to run existing verification algorithms online. Our key insight is that we can leverage the temporal dependencies of these changes to accelerate the verification process. This paper establishes a novel framework for scalable online verification to solve real-world verification problems with dynamically changing specifications and/or networks. We propose three types of acceleration algorithms: Branch Management to reduce repetitive computation, Perturbation Tolerance to tolerate changes, and Incremental Computation to reuse previous results. Experiment results show that our algorithms achieve up to $100\times$ acceleration, and thus show a promising way to extend neural network verification to real-world applications.  ( 2 min )

Finding different solutions to the same problem is a key aspect of intelligence associated with creativity and adaptation to novel situations. In reinforcement learning, a set of diverse policies can be useful for exploration, transfer, hierarchy, and robustness. We propose DOMiNO, a method for Diversity Optimization Maintaining Near Optimality. We formalize the problem as a Constrained Markov Decision Process where the objective is to find diverse policies, measured by the distance between the state occupancies of the policies in the set, while remaining near-optimal with respect to the extrinsic reward. We demonstrate that the method can discover diverse and meaningful behaviors in various domains, such as different locomotion patterns in the DeepMind Control Suite. We perform extensive analysis of our approach, compare it with other multi-objective baselines, demonstrate that we can control both the quality and the diversity of the set via interpretable hyperparameters, and show that the discovered set is robust to perturbations.  ( 2 min )

In this paper, we study certifying the robustness of ReLU neural networks against adversarial input perturbations. To diminish the relaxation error suffered by the popular linear programming (LP) and semidefinite programming (SDP) certification methods, we take a branch-and-bound approach to propose partitioning the input uncertainty set and solving the relaxations on each part separately. We show that this approach reduces relaxation error, and that the error is eliminated entirely upon performing an LP relaxation with a partition intelligently designed to exploit the nature of the ReLU activations. To scale this approach to large networks, we consider using a coarser partition whereby the number of parts in the partition is reduced. We prove that computing such a coarse partition that directly minimizes the LP relaxation error is NP-hard. By instead minimizing the worst-case LP relaxation error, we develop a closed-form branching scheme. We extend the analysis to the SDP, where the feasible set geometry is exploited to design a branching scheme that minimizes the worst-case SDP relaxation error. Experiments on MNIST, CIFAR-10, and Wisconsin breast cancer diagnosis classifiers demonstrate significant increases in the percentages of test samples certified. By independently increasing the input size and the number of layers, we empirically illustrate under which regimes the branched LP and branched SDP are best applied.  ( 2 min )

To act in the world, robots rely on a representation of salient task aspects: for example, to carry a cup of coffee, a robot must consider movement efficiency and cup orientation in its behaviour. However, if we want robots to act for and with people, their representations must not be just functional but also reflective of what humans care about, i.e. their representations must be aligned with humans'. In this survey, we pose that current reward and imitation learning approaches suffer from representation misalignment, where the robot's learned representation does not capture the human's representation. We suggest that because humans will be the ultimate evaluator of robot performance in the world, it is critical that we explicitly focus our efforts on aligning learned task representations with humans, in addition to learning the downstream task. We advocate that current representation learning approaches in robotics should be studied from the perspective of how well they accomplish the objective of representation alignment. To do so, we mathematically define the problem, identify its key desiderata, and situate current robot learning methods within this formalism. We conclude the survey by suggesting future directions for exploring open challenges.  ( 2 min )

The use of Neural Architecture Search (NAS) techniques to automate the design of neural networks has become increasingly popular in recent years. The proliferation of devices with different hardware characteristics using such neural networks, as well as the need to reduce the power consumption for their search, has led to the realisation of Once-For-All (OFA), an eco-friendly algorithm characterised by the ability to generate easily adaptable models through a single learning process. In order to improve this paradigm and develop high-performance yet eco-friendly NAS techniques, this paper presents OFAv2, the extension of OFA aimed at improving its performance while maintaining the same ecological advantage. The algorithm is improved from an architectural point of view by including early exits, parallel blocks and dense skip connections. The training process is extended by two new phases called Elastic Level and Elastic Height. A new Knowledge Distillation technique is presented to handle multi-output networks, and finally a new strategy for dynamic teacher network selection is proposed. These modifications allow OFAv2 to improve its accuracy performance on the Tiny ImageNet dataset by up to 12.07% compared to the original version of OFA, while maintaining the algorithm flexibility and advantages.  ( 2 min )

Datasets in the real world are often complex and to some degree hierarchical, with groups and sub-groups of data sharing common characteristics at different levels of abstraction. Understanding and uncovering the hidden structure of these datasets is an important task that has many practical applications. To address this challenge, we present a new and general method for building relational data trees by exploiting the learning dynamics of the Restricted Boltzmann Machine (RBM). Our method is based on the mean-field approach, derived from the Plefka expansion, and developed in the context of disordered systems. It is designed to be easily interpretable. We tested our method in an artificially created hierarchical dataset and on three different real-world datasets (images of digits, mutations in the human genome, and a homologous family of proteins). The method is able to automatically identify the hierarchical structure of the data. This could be useful in the study of homologous protein sequences, where the relationships between proteins are critical for understanding their function and evolution.  ( 2 min )

Data representativity is crucial when drawing inference from data through machine learning models. Scholars have increased focus on unraveling the bias and fairness in models, also in relation to inherent biases in the input data. However, limited work exists on the representativity of samples (datasets) for appropriate inference in AI systems. This paper reviews definitions and notions of a representative sample and surveys their use in scientific AI literature. We introduce three measurable concepts to help focus the notions and evaluate different data samples. Furthermore, we demonstrate that the contrast between a representative sample in the sense of coverage of the input space, versus a representative sample mimicking the distribution of the target population is of particular relevance when building AI systems. Through empirical demonstrations on US Census data, we evaluate the opposing inherent qualities of these concepts. Finally, we propose a framework of questions for creating and documenting data with data representativity in mind, as an addition to existing dataset documentation templates.  ( 2 min )

The paper presents a study on using language models to automate the construction of executable Knowledge Graph (KG) for compliance. The paper focuses on Abu Dhabi Global Market regulations and taxonomy, involves manual tagging a portion of the regulations, training BERT-based models, which are then applied to the rest of the corpus. Coreference resolution and syntax analysis were used to parse the relationships between the tagged entities and to form KG stored in a Neo4j database. The paper states that the use of machine learning models released by regulators to automate the interpretation of rules is a vital step towards compliance automation, demonstrates the concept querying with Cypher, and states that the produced sub-graphs combined with Graph Neural Networks (GNN) will achieve expandability in judgment automation systems. The graph is open sourced on GitHub to provide structured data for future advancements in the field.  ( 2 min )

Display Ads and the generalized assignment problem are two well-studied online packing problems with important applications in ad allocation and other areas. In both problems, ad impressions arrive online and have to be allocated immediately to budget-constrained advertisers. Worst-case algorithms that achieve the ideal competitive ratio are known, but might act overly conservative given the predictable and usually tame nature of real-world input. Given this discrepancy, we develop an algorithm for both problems that incorporate machine-learned predictions and can thus improve the performance beyond the worst-case. Our algorithm is based on the work of Feldman et al. (2009) and similar in nature to Mahdian et al. (2007) who were the first to develop a learning-augmented algorithm for the related, but more structured Ad Words problem. We use a novel analysis to show that our algorithm is able to capitalize on a good prediction, while being robust against poor predictions. We experimentally evaluate our algorithm on synthetic and real-world data on a wide range of predictions. Our algorithm is consistently outperforming the worst-case algorithm without predictions.  ( 2 min )

We study the relationship between two desiderata of algorithms in statistical inference and machine learning: differential privacy and robustness to adversarial data corruptions. Their conceptual similarity was first observed by Dwork and Lei (STOC 2009), who observed that private algorithms satisfy robustness, and gave a general method for converting robust algorithms to private ones. However, all general methods for transforming robust algorithms into private ones lead to suboptimal error rates. Our work gives the first black-box transformation that converts any adversarially robust algorithm into one that satisfies pure differential privacy. Moreover, we show that for any low-dimensional estimation task, applying our transformation to an optimal robust estimator results in an optimal private estimator. Thus, we conclude that for any low-dimensional task, the optimal error rate for $\varepsilon$-differentially private estimators is essentially the same as the optimal error rate for estimators that are robust to adversarially corrupting $1/\varepsilon$ training samples. We apply our transformation to obtain new optimal private estimators for several high-dimensional tasks, including Gaussian (sparse) linear regression and PCA. Finally, we present an extension of our transformation that leads to approximate differentially private algorithms whose error does not depend on the range of the output space, which is impossible under pure differential privacy.  ( 2 min )

Diffusion models have demonstrated their powerful generative capability in many tasks, with great potential to serve as a paradigm for offline reinforcement learning. However, the quality of the diffusion model is limited by the insufficient diversity of training data, which hinders the performance of planning and the generalizability to new tasks. This paper introduces AdaptDiffuser, an evolutionary planning method with diffusion that can self-evolve to improve the diffusion model hence a better planner, not only for seen tasks but can also adapt to unseen tasks. AdaptDiffuser enables the generation of rich synthetic expert data for goal-conditioned tasks using guidance from reward gradients. It then selects high-quality data via a discriminator to finetune the diffusion model, which improves the generalization ability to unseen tasks. Empirical experiments on two benchmark environments and two carefully designed unseen tasks in KUKA industrial robot arm and Maze2D environments demonstrate the effectiveness of AdaptDiffuser. For example, AdaptDiffuser not only outperforms the previous art Diffuser by 20.8% on Maze2D and 7.5% on MuJoCo locomotion, but also adapts better to new tasks, e.g., KUKA pick-and-place, by 27.9% without requiring additional expert data.  ( 2 min )

Physics informed neural networks (PINNs) have proven to be an efficient tool to represent problems for which measured data are available and for which the dynamics in the data are expected to follow some physical laws. In this paper, we suggest a multiobjective perspective on the training of PINNs by treating the data loss and the residual loss as two individual objective functions in a truly biobjective optimization approach. As a showcase example, we consider COVID-19 predictions in Germany and built an extended susceptibles-infected-recovered (SIR) model with additionally considered leaky-vaccinated and hospitalized populations (SVIHR model) to model the transition rates and to predict future infections. SIR-type models are expressed by systems of ordinary differential equations (ODEs). We investigate the suitability of the generated PINN for COVID-19 predictions and compare the resulting predicted curves with those obtained by applying the method of non-standard finite differences to the system of ODEs and initial data. The approach is applicable to various systems of ODEs that define dynamical regimes. Those regimes do not need to be SIR-type models, and the corresponding underlying data sets do not have to be associated with COVID-19.  ( 2 min )

Natural language processing (NLP) is a promising approach for analyzing large volumes of climate-change and infrastructure-related scientific literature. However, best-in-practice NLP techniques require large collections of relevant documents (corpus). Furthermore, NLP techniques using machine learning and deep learning techniques require labels grouping the articles based on user-defined criteria for a significant subset of a corpus in order to train the supervised model. Even labeling a few hundred documents with human subject-matter experts is a time-consuming process. To expedite this process, we developed a weak supervision-based NLP approach that leverages semantic similarity between categories and documents to (i) establish a topic-specific corpus by subsetting a large-scale open-access corpus and (ii) generate category labels for the topic-specific corpus. In comparison with a months-long process of subject-matter expert labeling, we assign category labels to the whole corpus using weak supervision and supervised learning in about 13 hours. The labeled climate and NCF corpus enable targeted, efficient identification of documents discussing a topic (or combination of topics) of interest and identification of various effects of climate change on critical infrastructure, improving the usability of scientific literature and ultimately supporting enhanced policy and decision making. To demonstrate this capability, we conduct topic modeling on pairs of climate hazards and NCFs to discover trending topics at the intersection of these categories. This method is useful for analysts and decision-makers to quickly grasp the relevant topics and most important documents linked to the topic.  ( 2 min )

Despite the prevalence and many successes of deep learning applications in de novo molecular design, the problem of peptide generation targeting specific proteins remains unsolved. A main barrier for this is the scarcity of the high-quality training data. To tackle the issue, we propose a novel machine learning based peptide design architecture, called Latent Space Approximate Trajectory Collector (LSATC). It consists of a series of samplers on an optimization trajectory on a highly non-convex energy landscape that approximates the distributions of peptides with desired properties in a latent space. The process involves little human intervention and can be implemented in an end-to-end manner. We demonstrate the model by the design of peptide extensions targeting Beta-catenin, a key nuclear effector protein involved in canonical Wnt signalling. When compared with a random sampler, LSATC can sample peptides with $36\%$ lower binding scores in a $16$ times smaller interquartile range (IQR) and $284\%$ less hydrophobicity with a $1.4$ times smaller IQR. LSATC also largely outperforms other common generative models. Finally, we utilized a clustering algorithm to select 4 peptides from the 100 LSATC designed peptides for experimental validation. The result confirms that all the four peptides extended by LSATC show improved Beta-catenin binding by at least $20.0\%$, and two of the peptides show a $3$ fold increase in binding affinity as compared to the base peptide.

This work is a study of acoustic non-reciprocity exhibited by a passive one-dimensional linear waveguide incorporating two local strongly nonlinear, asymmetric gates. Two local nonlinear gates break the symmetry and linearity of the waveguide, yielding strong global non-reciprocal acoustics, in the way that extremely different acoustical responses occur depending on the side of application of harmonic excitation. To the authors' best knowledge that the present two-gated waveguide is capable of extremely high acoustic non-reciprocity, at a much higher level to what is reported by active or passive devices in the current literature; moreover, this extreme performance combines with acceptable levels of transmissibility in the desired direction of wave propagation. Machine learning is utilized for predictive design of this gated waveguide in terms of the measures of transmissibility and non-reciprocity, with the aim of reducing the required computational time for high-dimensional parameter space analysis. The study sheds new light into the physics of these media and considers the advantages and limitations of using neural networks to analyze this type of physical problems. In the predicted desirable parameter space for intense non-reciprocity, the maximum transmissibility reaches as much as 40%, and the transmitted energy from upstream to downstream varies up to nine orders of magnitude, depending on the direction of wave transmission. The machine learning tools along with the numerical methods of this work can inform predictive designs of practical non-reciprocal waveguides and acoustic metamaterials that incorporate local nonlinear gates. The current paper shows that combinations of nonlinear gates can lead to extremely high non-reciprocity while maintaining desired levels of transmissibility.  ( 2 min )

The early detection of glaucoma is essential in preventing visual impairment. Artificial intelligence (AI) can be used to analyze color fundus photographs (CFPs) in a cost-effective manner, making glaucoma screening more accessible. While AI models for glaucoma screening from CFPs have shown promising results in laboratory settings, their performance decreases significantly in real-world scenarios due to the presence of out-of-distribution and low-quality images. To address this issue, we propose the Artificial Intelligence for Robust Glaucoma Screening (AIROGS) challenge. This challenge includes a large dataset of around 113,000 images from about 60,000 patients and 500 different screening centers, and encourages the development of algorithms that are robust to ungradable and unexpected input data. We evaluated solutions from 14 teams in this paper, and found that the best teams performed similarly to a set of 20 expert ophthalmologists and optometrists. The highest-scoring team achieved an area under the receiver operating characteristic curve of 0.99 (95% CI: 0.98-0.99) for detecting ungradable images on-the-fly. Additionally, many of the algorithms showed robust performance when tested on three other publicly available datasets. These results demonstrate the feasibility of robust AI-enabled glaucoma screening.  ( 2 min )

In vision-based action recognition, spatio-temporal features from different modalities are used for recognizing activities. Temporal modeling is a long challenge of action recognition. However, there are limited methods such as pre-computed motion features, three-dimensional (3D) filters, and recurrent neural networks (RNN) for modeling motion information in deep-based approaches. Recently, transformers success in modeling long-range dependencies in natural language processing (NLP) tasks has gotten great attention from other domains; including speech, image, and video, to rely entirely on self-attention without using sequence-aligned RNNs or convolutions. Although the application of transformers to action recognition is relatively new, the amount of research proposed on this topic within the last few years is astounding. This paper especially reviews recent progress in deep learning methods for modeling temporal variations. It focuses on action recognition methods that use transformers for temporal modeling, discussing their main features, used modalities, and identifying opportunities and challenges for future research.

In this paper, we present a deep learning segmentation approach to classify and quantify the two most prevalent primary liver cancers - hepatocellular carcinoma and intrahepatic cholangiocarcinoma - from hematoxylin and eosin (H&E) stained whole slide images. While semantic segmentation of medical images typically requires costly pixel-level annotations by domain experts, there often exists additional information which is routinely obtained in clinical diagnostics but rarely utilized for model training. We propose to leverage such weak information from patient diagnoses by deriving complementary labels that indicate to which class a sample cannot belong to. To integrate these labels, we formulate a complementary loss for segmentation. Motivated by the medical application, we demonstrate for general segmentation tasks that including additional patches with solely weak complementary labels during model training can significantly improve the predictive performance and robustness of a model. On the task of diagnostic differentiation between hepatocellular carcinoma and intrahepatic cholangiocarcinoma, we achieve a balanced accuracy of 0.91 (CI 95%: 0.86 - 0.95) at case level for 165 hold-out patients. Furthermore, we also show that leveraging complementary labels improves the robustness of segmentation and increases performance at case level.  ( 2 min )

We argue that all building blocks of transformer models can be expressed with a single concept: combinatorial Hopf algebra. Transformer learning emerges as a result of the subtle interplay between the algebraic and coalgebraic operations of the combinatorial Hopf algebra. Viewed through this lens, the transformer model becomes a linear time-invariant system where the attention mechanism computes a generalized convolution transform and the residual stream serves as a unit impulse. Attention-only transformers then learn by enforcing an invariant between these two paths. We call this invariant Hopf coherence. Due to this, with a degree of poetic license, one could call combinatorial Hopf algebras "tensors with a built-in loss function gradient". This loss function gradient occurs within the single layers and no backward pass is needed. This is in contrast to automatic differentiation which happens across the whole graph and needs a explicit backward pass. This property is the result of the fact that combinatorial Hopf algebras have the surprising property of calculating eigenvalues by repeated squaring.  ( 2 min )

In recent years, Physics-informed neural networks (PINNs) have been widely used to solve partial differential equations alongside numerical methods because PINNs can be trained without observations and deal with continuous-time problems directly. In contrast, optimizing the parameters of such models is difficult, and individual training sessions must be performed to predict the evolutions of each different initial condition. To alleviate the first problem, observed data can be injected directly into the loss function part. To solve the second problem, a network architecture can be built as a framework to learn a finite difference method. In view of the two motivations, we propose Five-point stencil CNNs (FCNNs) containing a five-point stencil kernel and a trainable approximation function for reaction-diffusion type equations including the heat, Fisher's, Allen-Cahn, and other reaction-diffusion equations with trigonometric function terms. We show that FCNNs can learn finite difference schemes using few data and achieve the low relative errors of diverse reaction-diffusion evolutions with unseen initial conditions. Furthermore, we demonstrate that FCNNs can still be trained well even with using noisy data.

In pre-clinical pathology, there is a paradox between the abundance of raw data (whole slide images from many organs of many individual animals) and the lack of pixel-level slide annotations done by pathologists. Due to time constraints and requirements from regulatory authorities, diagnoses are instead stored as slide labels. Weakly supervised training is designed to take advantage of those data, and the trained models can be used by pathologists to rank slides by their probability of containing a given lesion of interest. In this work, we propose a novel contextualized eXplainable AI (XAI) framework and its application to deep learning models trained on Whole Slide Images (WSIs) in Digital Pathology. Specifically, we apply our methods to a multi-instance-learning (MIL) model, which is trained solely on slide-level labels, without the need for pixel-level annotations. We validate quantitatively our methods by quantifying the agreements of our explanations' heatmaps with pathologists' annotations, as well as with predictions from a segmentation model trained on such annotations. We demonstrate the stability of the explanations with respect to input shifts, and the fidelity with respect to increased model performance. We quantitatively evaluate the correlation between available pixel-wise annotations and explainability heatmaps. We show that the explanations on important tiles of the whole slide correlate with tissue changes between healthy regions and lesions, but do not exactly behave like a human annotator. This result is coherent with the model training strategy.  ( 2 min )

Byzantine machine learning (ML) aims to ensure the resilience of distributed learning algorithms to misbehaving (or Byzantine) machines. Although this problem received significant attention, prior works often assume the data held by the machines to be homogeneous, which is seldom true in practical settings. Data heterogeneity makes Byzantine ML considerably more challenging, since a Byzantine machine can hardly be distinguished from a non-Byzantine outlier. A few solutions have been proposed to tackle this issue, but these provide suboptimal probabilistic guarantees and fare poorly in practice. This paper closes the theoretical gap, achieving optimality and inducing good empirical results. In fact, we show how to automatically adapt existing solutions for (homogeneous) Byzantine ML to the heterogeneous setting through a powerful mechanism, we call nearest neighbor mixing (NNM), which boosts any standard robust distributed gradient descent variant to yield optimal Byzantine resilience under heterogeneity. We obtain similar guarantees (in expectation) by plugging NNM in the distributed stochastic heavy ball method, a practical substitute to distributed gradient descent. We obtain empirical results that significantly outperform state-of-the-art Byzantine ML solutions.  ( 2 min )

Continual learning is the problem of learning from a nonstationary stream of data, a fundamental issue for sustainable and efficient training of deep neural networks over time. Unfortunately, deep learning libraries only provide primitives for offline training, assuming that model's architecture and data are fixed. Avalanche is an open source library maintained by the ContinualAI non-profit organization that extends PyTorch by providing first-class support for dynamic architectures, streams of datasets, and incremental training and evaluation methods. Avalanche provides a large set of predefined benchmarks and training algorithms and it is easy to extend and modular while supporting a wide range of continual learning scenarios. Documentation is available at \url{https://avalanche.continualai.org}.  ( 2 min )

Certified defenses are a recent development in adversarial machine learning (ML), which aim to rigorously guarantee the robustness of ML models to adversarial perturbations. A large body of work studies certified defenses in computer vision, where $\ell_p$ norm-bounded evasion attacks are adopted as a tractable threat model. However, this threat model has known limitations in vision, and is not applicable to other domains -- e.g., where inputs may be discrete or subject to complex constraints. Motivated by this gap, we study certified defenses for malware detection, a domain where attacks against ML-based systems are a real and current threat. We consider static malware detection systems that operate on byte-level data. Our certified defense is based on the approach of randomized smoothing which we adapt by: (1) replacing the standard Gaussian randomization scheme with a novel deletion randomization scheme that operates on bytes or chunks of an executable; and (2) deriving a certificate that measures robustness to evasion attacks in terms of generalized edit distance. To assess the size of robustness certificates that are achievable while maintaining high accuracy, we conduct experiments on malware datasets using a popular convolutional malware detection model, MalConv. We are able to accurately classify 91% of the inputs while being certifiably robust to any adversarial perturbations of edit distance 128 bytes or less. By comparison, an existing certification of up to 128 bytes of substitutions (without insertions or deletions) achieves an accuracy of 78%. In addition, given that robustness certificates are conservative, we evaluate practical robustness to several recently published evasion attacks and, in some cases, find robustness beyond certified guarantees.  ( 2 min )

Reward function is essential in reinforcement learning (RL), serving as the guiding signal to incentivize agents to solve given tasks, however, is also notoriously difficult to design. In many cases, only imperfect rewards are available, which inflicts substantial performance loss for RL agents. In this study, we propose a unified offline policy optimization approach, \textit{RGM (Reward Gap Minimization)}, which can smartly handle diverse types of imperfect rewards. RGM is formulated as a bi-level optimization problem: the upper layer optimizes a reward correction term that performs visitation distribution matching w.r.t. some expert data; the lower layer solves a pessimistic RL problem with the corrected rewards. By exploiting the duality of the lower layer, we derive a tractable algorithm that enables sampled-based learning without any online interactions. Comprehensive experiments demonstrate that RGM achieves superior performance to existing methods under diverse settings of imperfect rewards. Further, RGM can effectively correct wrong or inconsistent rewards against expert preference and retrieve useful information from biased rewards.  ( 2 min )

Third-party resources ($e.g.$, samples, backbones, and pre-trained models) are usually involved in the training of deep neural networks (DNNs), which brings backdoor attacks as a new training-phase threat. In general, backdoor attackers intend to implant hidden backdoor in DNNs, so that the attacked DNNs behave normally on benign samples whereas their predictions will be maliciously changed to a pre-defined target label if hidden backdoors are activated by attacker-specified trigger patterns. To facilitate the research and development of more secure training schemes and defenses, we design an open-sourced Python toolbox that implements representative and advanced backdoor attacks and defenses under a unified and flexible framework. Our toolbox has four important and promising characteristics, including consistency, simplicity, flexibility, and co-development. It allows researchers and developers to easily implement and compare different methods on benchmark or their local datasets. This Python toolbox, namely \texttt{BackdoorBox}, is available at \url{https://github.com/THUYimingLi/BackdoorBox}.  ( 2 min )

In various applications, probabilistic forecasts are required to quantify the inherent uncertainty associated with the forecast. However, numerous modern forecasting methods are still designed to create deterministic forecasts. Transforming these deterministic forecasts into probabilistic forecasts is often challenging and based on numerous assumptions that may not hold in real-world situations. Therefore, the present article proposes a novel approach for creating probabilistic forecasts from arbitrary deterministic forecasts. In order to implement this approach, we use a conditional Invertible Neural Network (cINN). More specifically, we apply a cINN to learn the underlying distribution of the data and then combine the uncertainty from this distribution with an arbitrary deterministic forecast to generate accurate probabilistic forecasts. Our approach enables the simple creation of probabilistic forecasts without complicated statistical loss functions or further assumptions. Besides showing the mathematical validity of our approach, we empirically show that our approach noticeably outperforms traditional methods for including uncertainty in deterministic forecasts and generally outperforms state-of-the-art probabilistic forecasting benchmarks.  ( 2 min )

Network anomaly detection is a very relevant research area nowadays, especially due to its multiple applications in the field of network security. The boost of new models based on variational autoencoders and generative adversarial networks has motivated a reevaluation of traditional techniques for anomaly detection. It is, however, essential to be able to understand these new models from the perspective of the experience attained from years of evaluating network security data for anomaly detection. In this paper, we revisit anomaly detection techniques based on PCA from a probabilistic generative model point of view, and contribute a mathematical model that relates them. Specifically, we start with the probabilistic PCA model and explain its connection to the Multivariate Statistical Network Monitoring (MSNM) framework. MSNM was recently successfully proposed as a means of incorporating industrial process anomaly detection experience into the field of networking. We have evaluated the mathematical model using two different datasets. The first, a synthetic dataset created to better understand the analysis proposed, and the second, UGR'16, is a specifically designed real-traffic dataset for network security anomaly detection. We have drawn conclusions that we consider to be useful when applying generative models to network security detection.

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.

We propose a new class of linear Transformers called FourierLearner-Transformers (FLTs), which incorporate a wide range of relative positional encoding mechanisms (RPEs). These include regular RPE techniques applied for nongeometric data, as well as novel RPEs operating on the sequences of tokens embedded in higher-dimensional Euclidean spaces (e.g. point clouds). FLTs construct the optimal RPE mechanism implicitly by learning its spectral representation. As opposed to other architectures combining efficient low-rank linear attention with RPEs, FLTs remain practical in terms of their memory usage and do not require additional assumptions about the structure of the RPE-mask. FLTs allow also for applying certain structural inductive bias techniques to specify masking strategies, e.g. they provide a way to learn the so-called local RPEs introduced in this paper and providing accuracy gains as compared with several other linear Transformers for language modeling. We also thoroughly tested FLTs on other data modalities and tasks, such as: image classification and 3D molecular modeling. For 3D-data FLTs are, to the best of our knowledge, the first Transformers architectures providing RPE-enhanced linear attention.

Non-Fungible Tokens (NFTs) represent deeds of ownership, based on blockchain technologies and smart contracts, of unique crypto assets on digital art forms (e.g., artworks or collectibles). In the spotlight after skyrocketing in 2021, NFTs have attracted the attention of crypto enthusiasts and investors intent on placing promising investments in this profitable market. However, the NFT financial performance prediction has not been widely explored to date. In this work, we address the above problem based on the hypothesis that NFT images and their textual descriptions are essential proxies to predict the NFT selling prices. To this purpose, we propose MERLIN, a novel multimodal deep learning framework designed to train Transformer-based language and visual models, along with graph neural network models, on collections of NFTs' images and texts. A key aspect in MERLIN is its independence on financial features, as it exploits only the primary data a user interested in NFT trading would like to deal with, i.e., NFT images and textual descriptions. By learning dense representations of such data, a price-category classification task is performed by MERLIN models, which can also be tuned according to user preferences in the inference phase to mimic different risk-return investment profiles. Experimental evaluation on a publicly available dataset has shown that MERLIN models achieve significant performances according to several financial assessment criteria, fostering profitable investments, and also beating baseline machine-learning classifiers based on financial features.  ( 2 min )

Deep learning (DL) has emerged as a promising tool to downscale climate projections at regional-to-local scales from large-scale atmospheric fields following the perfect-prognosis (PP) approach. Given their complexity, it is crucial to properly evaluate these methods, especially when applied to changing climatic conditions where the ability to extrapolate/generalise is key. In this work, we intercompare several DL models extracted from the literature for the same challenging use-case (downscaling temperature in the CORDEX North America domain) and expand standard evaluation methods building on eXplainable artifical intelligence (XAI) techniques. We show how these techniques can be used to unravel the internal behaviour of these models, providing new evaluation dimensions and aiding in their diagnostic and design. These results show the usefulness of incorporating XAI techniques into statistical downscaling evaluation frameworks, especially when working with large regions and/or under climate change conditions.

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a $\tilde{\mathcal{O}}(\varepsilon^{-2.5})$ sample complexity of this method for finding a global $\varepsilon$-optimal policy. Improving over the previously known $\tilde{\mathcal{O}}(\varepsilon^{-3})$ complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to $\tilde{ \mathcal{\mathcal{O}} }(\varepsilon^{-2})$ by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are $(i)$ simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; $(ii)$ computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

Recently, short video platforms have achieved rapid user growth by recommending interesting content to users. The objective of the recommendation is to optimize user retention, thereby driving the growth of DAU (Daily Active Users). Retention is a long-term feedback after multiple interactions of users and the system, and it is hard to decompose retention reward to each item or a list of items. Thus traditional point-wise and list-wise models are not able to optimize retention. In this paper, we choose reinforcement learning methods to optimize the retention as they are designed to maximize the long-term performance. We formulate the problem as an infinite-horizon request-based Markov Decision Process, and our objective is to minimize the accumulated time interval of multiple sessions, which is equal to improving the app open frequency and user retention. However, current reinforcement learning algorithms can not be directly applied in this setting due to uncertainty, bias, and long delay time incurred by the properties of user retention. We propose a novel method, dubbed RLUR, to address the aforementioned challenges. Both offline and live experiments show that RLUR can significantly improve user retention. RLUR has been fully launched in Kuaishou app for a long time, and achieves consistent performance improvement on user retention and DAU.  ( 2 min )

This work studies reinforcement learning (RL) in the context of multi-period supply chains subject to constraints, e.g., on production and inventory. We introduce Distributional Constrained Policy Optimization (DCPO), a novel approach for reliable constraint satisfaction in RL. Our approach is based on Constrained Policy Optimization (CPO), which is subject to approximation errors that in practice lead it to converge to infeasible policies. We address this issue by incorporating aspects of distributional RL into DCPO. Specifically, we represent the return and cost value functions using neural networks that output discrete distributions, and we reshape costs based on the associated confidence. Using a supply chain case study, we show that DCPO improves the rate at which the RL policy converges and ensures reliable constraint satisfaction by the end of training. The proposed method also improves predictability, greatly reducing the variance of returns between runs, respectively; this result is significant in the context of policy gradient methods, which intrinsically introduce significant variance during training.  ( 2 min )

Transfer learning is known to perform efficiently in many applications empirically, yet limited literature reports the mechanism behind the scene. This study establishes both formal derivations and heuristic analysis to formulate the theory of transfer learning in deep learning. Our framework utilizing layer variational analysis proves that the success of transfer learning can be guaranteed with corresponding data conditions. Moreover, our theoretical calculation yields intuitive interpretations towards the knowledge transfer process. Subsequently, an alternative method for network-based transfer learning is derived. The method shows an increase in efficiency and accuracy for domain adaptation. It is particularly advantageous when new domain data is sufficiently sparse during adaptation. Numerical experiments over diverse tasks validated our theory and verified that our analytic expression achieved better performance in domain adaptation than the gradient descent method.  ( 2 min )

Protecting sensitive data is an essential part of security in cloud computing. However, only specific privileged individuals have access to view or interact with this data; therefore, it is unscalable to depend on these individuals also to maintain the software. A solution to this is to allow non-privileged individuals access to maintain these systems but mask sensitive information from egressing. To this end, we have created a machine-learning model to predict and redact fields with sensitive data. This work concentrates on Azure PowerShell, showing how it applies to other command-line interfaces and APIs. Using the F5-score as a weighted metric, we demonstrate different transformation techniques to map this problem from an unknown field to the well-researched area of natural language processing.  ( 2 min )

We introduce a novel approach to user authentication called Motion ID. The method employs motion sensing provided by inertial measurement units (IMUs), using it to verify the persons identity via short time series of IMU data captured by the mobile device. The paper presents two labeled datasets with unlock events: the first features IMU measurements, provided by six users who continuously collected data on six different smartphones for a period of 12 weeks. The second one contains 50 hours of IMU data for one specific motion pattern, provided by 101 users. Moreover, we present a two-stage user authentication process that employs motion pattern identification and user verification and is based on data preprocessing and machine learning. The Results section details the assessment of the method proposed, comparing it with existing biometric authentication methods and the Android biometric standard. The method has demonstrated high accuracy, indicating that it could be successfully used in combination with existing methods. Furthermore, the method exhibits significant promise as a standalone solution. We provide the datasets to the scholarly community and share our project code.  ( 2 min )

Generative adversarial networks (GANs) are known for their strong abilities on capturing the underlying distribution of training instances. Since the seminal work of GAN, many variants of GAN have been proposed. However, existing GANs are almost established on the assumption that the training dataset is clean. But in many real-world applications, this may not hold, that is, the training dataset may be contaminated by a proportion of undesired instances. When training on such datasets, existing GANs will learn a mixture distribution of desired and contaminated instances, rather than the desired distribution of desired data only (target distribution). To learn the target distribution from contaminated datasets, two purified generative adversarial networks (PuriGAN) are developed, in which the discriminators are augmented with the capability to distinguish between target and contaminated instances by leveraging an extra dataset solely composed of contamination instances. We prove that under some mild conditions, the proposed PuriGANs are guaranteed to converge to the distribution of desired instances. Experimental results on several datasets demonstrate that the proposed PuriGANs are able to generate much better images from the desired distribution than comparable baselines when trained on contaminated datasets. In addition, we also demonstrate the usefulness of PuriGAN on downstream applications by applying it to the tasks of semi-supervised anomaly detection on contaminated datasets and PU-learning. Experimental results show that PuriGAN is able to deliver the best performance over comparable baselines on both tasks.  ( 2 min )

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to represent and sample from a distribution) and amortized variational methods (as they can be used to learn to approximate and sample from an otherwise intractable posterior, given a prior and a likelihood). They are trained to generate an object $x$ through a sequence of steps with probability proportional to some reward function $R(x)$ (or $\exp(-\mathcal{E}(x))$ with $\mathcal{E}(x)$ denoting the energy function), given at the end of the generative trajectory. Like for other RL settings where the reward is only given at the end, the efficiency of training and credit assignment may suffer when those trajectories are longer. With previous GFlowNet work, no learning was possible from incomplete trajectories (lacking a terminal state and the computation of the associated reward). In this paper, we consider the case where the energy function can be applied not just to terminal states but also to intermediate states. This is for example achieved when the energy function is additive, with terms available along the trajectory. We show how to reparameterize the GFlowNet state flow function to take advantage of the partial reward already accrued at each state. This enables a training objective that can be applied to update parameters even with incomplete trajectories. Even when complete trajectories are available, being able to obtain more localized credit and gradients is found to speed up training convergence, as demonstrated across many simulations.  ( 2 min )

It is a known problem that deep-learning-based end-to-end (E2E) channel coding systems depend on a known and differentiable channel model, due to the learning process and based on the gradient-descent optimization methods. This places the challenge to approximate or generate the channel or its derivative from samples generated by pilot signaling in real-world scenarios. Currently, there are two prevalent methods to solve this problem. One is to generate the channel via a generative adversarial network (GAN), and the other is to, in essence, approximate the gradient via reinforcement learning methods. Other methods include using score-based methods, variational autoencoders, or mutual-information-based methods. In this paper, we focus on generative models and, in particular, on a new promising method called diffusion models, which have shown a higher quality of generation in image-based tasks. We will show that diffusion models can be used in wireless E2E scenarios and that they work as good as Wasserstein GANs while having a more stable training procedure and a better generalization ability in testing.  ( 2 min )

This paper introduces a novel residual correlation analysis, called AZ-analysis, to assess the optimality of spatio-temporal predictive models. The proposed AZ-analysis constitutes a valuable asset for discovering and highlighting those space-time regions where the model can be improved with respect to performance. The AZ-analysis operates under very mild assumptions and is based on a spatio-temporal graph that encodes serial and functional dependencies in the data; asymptotically distribution-free summary statistics identify existing residual correlation in space and time regions, hence localizing time frames and/or communities of sensors, where the predictor can be improved.  ( 2 min )

For medical image segmentation, contrastive learning is the dominant practice to improve the quality of visual representations by contrasting semantically similar and dissimilar pairs of samples. This is enabled by the observation that without accessing ground truth label, negative examples with truly dissimilar anatomical features, if sampled, can significantly improve the performance. In reality, however, these samples may come from similar anatomical features and the models may struggle to distinguish the minority tail-class samples, making the tail classes more prone to misclassification, both of which typically lead to model collapse. In this paper, we propose ARCO, a semi-supervised contrastive learning (CL) framework with stratified group sampling theory in medical image segmentation. In particular, we first propose building ARCO through the concept of variance-reduced estimation, and show that certain variance-reduction techniques are particularly beneficial in medical image segmentation tasks with extremely limited labels. Furthermore, we theoretically prove these sampling techniques are universal in variance reduction. Finally, we experimentally validate our approaches on three benchmark datasets with different label settings, and our methods consistently outperform state-of-the-art semi- and fully-supervised methods. Additionally, we augment the CL frameworks with these sampling techniques and demonstrate significant gains over previous methods. We believe our work is an important step towards semi-supervised medical image segmentation by quantifying the limitation of current self-supervision objectives for accomplishing medical image analysis tasks.  ( 2 min )

Deep learning achieves outstanding results in many machine learning tasks. Nevertheless, it is vulnerable to backdoor attacks that modify the training set to embed a secret functionality in the trained model. The modified training samples have a secret property, i.e., a trigger. At inference time, the secret functionality is activated when the input contains the trigger, while the model functions correctly in other cases. While there are many known backdoor attacks (and defenses), deploying a stealthy attack is still far from trivial. Successfully creating backdoor triggers heavily depends on numerous parameters. Unfortunately, research has not yet determined which parameters contribute most to the attack performance. This paper systematically analyzes the most relevant parameters for the backdoor attacks, i.e., trigger size, position, color, and poisoning rate. Using transfer learning, which is very common in computer vision, we evaluate the attack on numerous state-of-the-art models (ResNet, VGG, AlexNet, and GoogLeNet) and datasets (MNIST, CIFAR10, and TinyImageNet). Our attacks cover the majority of backdoor settings in research, providing concrete directions for future works. Our code is publicly available to facilitate the reproducibility of our results.  ( 2 min )

Artificial intelligence is finding its way into medical imaging, usually focusing on image reconstruction or enhancing analytical reconstructed images. However, optimizations along the complete processing chain, from detecting signals to computing data, enable significant improvements. Thus, we present an approach toward detector optimization using boosted learning by exploiting the concept of residual physics. In our work, we improve the coincidence time resolution (CTR) of positron emission tomography (PET) detectors. PET enables imaging of metabolic processes by detecting {\gamma}-photons with scintillation detectors. Current research exploits light-sharing detectors, where the scintillation light is distributed over and digitized by an array of readout channels. While these detectors demonstrate excellent performance parameters, e.g., regarding spatial resolution, extracting precise timing information for time-of-flight (TOF) becomes more challenging due to deteriorating effects called time skews. Conventional correction methods mainly rely on analytical formulations, theoretically capable of covering all time skew effects, e.g., caused by signal runtimes or physical effects. However, additional effects are involved for light-sharing detectors, so finding suitable analytical formulations can become arbitrarily complicated. The residual physics-based strategy uses gradient tree boosting (GTB) and a physics-informed data generation mimicking an actual imaging process by shifting a radiation source. We used clinically relevant detectors with a height of 19 mm, coupled to digital photosensor arrays. All trained models improved the CTR significantly. Using the best model, we achieved CTRs down to 198 ps (185 ps) for energies ranging from 300 keV to 700 keV (450 keV to 550 keV).  ( 2 min )

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that our approach outperforms the state-of-the-art methods by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65% and 56.63% on CATH 4.2 and 4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)  ( 2 min )

The wide popularity of short videos on social media poses new opportunities and challenges to optimize recommender systems on the video-sharing platforms. Users sequentially interact with the system and provide complex and multi-faceted responses, including watch time and various types of interactions with multiple videos. One the one hand, the platforms aims at optimizing the users' cumulative watch time (main goal) in long term, which can be effectively optimized by Reinforcement Learning. On the other hand, the platforms also needs to satisfy the constraint of accommodating the responses of multiple user interactions (auxiliary goals) such like, follow, share etc. In this paper, we formulate the problem of short video recommendation as a Constrained Markov Decision Process (CMDP). We find that traditional constrained reinforcement learning algorithms can not work well in this setting. We propose a novel two-stage constrained actor-critic method: At stage one, we learn individual policies to optimize each auxiliary signal. At stage two, we learn a policy to (i) optimize the main signal and (ii) stay close to policies learned at the first stage, which effectively guarantees the performance of this main policy on the auxiliaries. Through extensive offline evaluations, we demonstrate effectiveness of our method over alternatives in both optimizing the main goal as well as balancing the others. We further show the advantage of our method in live experiments of short video recommendations, where it significantly outperforms other baselines in terms of both watch time and interactions. Our approach has been fully launched in the production system to optimize user experiences on the platform.  ( 2 min )

Generative Adversarial Networks (GANs) have achieved state-of-the-art results in tabular data synthesis, under the presumption of direct accessible training data. Vertical Federated Learning (VFL) is a paradigm which allows to distributedly train machine learning model with clients possessing unique features pertaining to the same individuals, where the tabular data learning is the primary use case. However, it is unknown if tabular GANs can be learned in VFL. Demand for secure data transfer among clients and GAN during training and data synthesizing poses extra challenge. Conditional vector for tabular GANs is a valuable tool to control specific features of generated data. But it contains sensitive information from real data - risking privacy guarantees. In this paper, we propose GTV, a VFL framework for tabular GANs, whose key components are generator, discriminator and the conditional vector. GTV proposes an unique distributed training architecture for generator and discriminator to access training data in a privacy-preserving manner. To accommodate conditional vector into training without privacy leakage, GTV designs a mechanism training-with-shuffling to ensure that no party can reconstruct training data with conditional vector. We evaluate the effectiveness of GTV in terms of synthetic data quality, and overall training scalability. Results show that GTV can consistently generate high-fidelity synthetic tabular data of comparable quality to that generated by centralized GAN algorithm. The difference on machine learning utility can be as low as to 2.7%, even under extremely imbalanced data distributions across clients and different number of clients.  ( 2 min )

In this work, besides improving prediction accuracy, we study whether personalization could bring robustness benefits to backdoor attacks. We conduct the first study of backdoor attacks in the pFL framework, testing 4 widely used backdoor attacks against 6 pFL methods on benchmark datasets FEMNIST and CIFAR-10, a total of 600 experiments. The study shows that pFL methods with partial model-sharing can significantly boost robustness against backdoor attacks. In contrast, pFL methods with full model-sharing do not show robustness. To analyze the reasons for varying robustness performances, we provide comprehensive ablation studies on different pFL methods. Based on our findings, we further propose a lightweight defense method, Simple-Tuning, which empirically improves defense performance against backdoor attacks. We believe that our work could provide both guidance for pFL application in terms of its robustness and offer valuable insights to design more robust FL methods in the future.  ( 2 min )

Artificial intelligence (AI) models are increasingly used in the medical domain. However, as medical data is highly sensitive, special precautions to ensure the protection of said data are required. The gold standard for privacy preservation is the introduction of differential privacy (DP) to model training. However, prior work has shown that DP has negative implications on model accuracy and fairness. Therefore, the purpose of this study is to demonstrate that the privacy-preserving training of AI models for chest radiograph diagnosis is possible with high accuracy and fairness compared to non-private training. N=193,311 high quality clinical chest radiographs were retrospectively collected and manually labeled by experienced radiologists, who assigned one or more of the following diagnoses: cardiomegaly, congestion, pleural effusion, pneumonic infiltration and atelectasis, to each side (where applicable). The non-private AI models were compared with privacy-preserving (DP) models with respect to privacy-utility trade-offs (measured as area under the receiver-operator-characteristic curve (AUROC)), and privacy-fairness trade-offs (measured as Pearson-R or Statistical Parity Difference). The non-private AI model achieved an average AUROC score of 0.90 over all labels, whereas the DP AI model with a privacy budget of epsilon=7.89 resulted in an AUROC of 0.87, i.e., a mere 2.6% performance decrease compared to non-private training. The privacy-preserving training of diagnostic AI models can achieve high performance with a small penalty on model accuracy and does not amplify discrimination against age, sex or co-morbidity. We thus encourage practitioners to integrate state-of-the-art privacy-preserving techniques into medical AI model development.  ( 2 min )

Driver stress is a major cause of car accidents and death worldwide. Furthermore, persistent stress is a health problem, contributing to hypertension and other diseases of the cardiovascular system. Stress has a measurable impact on heart and breathing rates and stress levels can be inferred from such measurements. Galvanic skin response is a common test to measure the perspiration caused by both physiological and psychological stress, as well as extreme emotions. In this paper, galvanic skin response is used to estimate the ground truth stress levels. A feature selection technique based on the minimal redundancy-maximal relevance method is then applied to multiple heart rate variability and breathing rate metrics to identify a novel and optimal combination for use in detecting stress. The support vector machine algorithm with a radial basis function kernel was used along with these features to reliably predict stress. The proposed method has achieved a high level of accuracy on the target dataset.  ( 2 min )

Split Learning (SL) is one promising variant of Federated Learning (FL), where the AI model is split and trained at the clients and the server collaboratively. By offloading the computation-intensive portions to the server, SL enables efficient model training on resource-constrained clients. Despite its booming applications, SL still lacks rigorous convergence analysis on non-IID data, which is critical for hyperparameter selection. In this paper, we first prove that SL exhibits an $\mathcal{O}(1/\sqrt{R})$ convergence rate for non-convex objectives on non-IID data, where $R$ is the number of total training rounds. The derived convergence results can facilitate understanding the effect of some crucial factors in SL (e.g., data heterogeneity and synchronization interval). Furthermore, comparing with the convergence result of FL, we show that the guarantee of SL is worse than FL in terms of training rounds on non-IID data. The experimental results verify our theory. More findings on the comparison between FL and SL in cross-device settings are also reported.  ( 2 min )

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).  ( 2 min )

In real industrial processes, fault diagnosis methods are required to learn from limited fault samples since the procedures are mainly under normal conditions and the faults rarely occur. Although attention mechanisms have become popular in the field of fault diagnosis, the existing attention-based methods are still unsatisfying for the above practical applications. First, pure attention-based architectures like transformers need a large number of fault samples to offset the lack of inductive biases thus performing poorly under limited fault samples. Moreover, the poor fault classification dilemma further leads to the failure of the existing attention-based methods to identify the root causes. To address the aforementioned issues, we innovatively propose a supervised contrastive convolutional attention mechanism (SCCAM) with ante-hoc interpretability, which solves the root cause analysis problem under limited fault samples for the first time. The proposed SCCAM method is tested on a continuous stirred tank heater and the Tennessee Eastman industrial process benchmark. Three common fault diagnosis scenarios are covered, including a balanced scenario for additional verification and two scenarios with limited fault samples (i.e., imbalanced scenario and long-tail scenario). The comprehensive results demonstrate that the proposed SCCAM method can achieve better performance compared with the state-of-the-art methods on fault classification and root cause analysis.  ( 2 min )

The identification of co-regulated genes and their transcription-factor binding sites (TFBS) are the key steps toward understanding transcription regulation. In addition to effective laboratory assays, various bi-clustering algorithms for detection of the co-expressed genes have been developed. Bi-clustering methods are used to discover subgroups of genes with similar expression patterns under to-be-identified subsets of experimental conditions when applied to gene expression data. By building two fuzzy partition matrices of the gene expression data with the Axiomatic Fuzzy Set (AFS) theory, this paper proposes a novel fuzzy bi-clustering algorithm for identification of co-regulated genes. Specifically, the gene expression data is transformed into two fuzzy partition matrices via sub-preference relations theory of AFS at first. One of the matrices is considering the genes as the universe and the conditions as the concept, the other one is considering the genes as the concept and the conditions as the universe. The identification of the co-regulated genes (bi-clusters) is carried out on the two partition matrices at the same time. Then, a novel fuzzy-based similarity criterion is defined based on the partition matrixes, and a cyclic optimization algorithm is designed to discover the significant bi-clusters at expression level. The above procedures guarantee that the generated bi-clusters have more significant expression values than that of extracted by the traditional bi-clustering methods. Finally, the performance of the proposed method is evaluated with the performance of the three well-known bi-clustering algorithms on publicly available real microarray datasets. The experimental results are in agreement with the theoretical analysis and show that the proposed algorithm can effectively detect the co-regulated genes without any prior knowledge of the gene expression data.  ( 2 min )

A complex system with cluttered observations may be a coupled mixture of multiple simple sub-systems corresponding to latent entities. Such sub-systems may hold distinct dynamics in the continuous-time domain; therein, complicated interactions between sub-systems also evolve over time. This setting is fairly common in the real world but has been less considered. In this paper, we propose a sequential learning approach under this setting by decoupling a complex system for handling irregularly sampled and cluttered sequential observations. Such decoupling brings about not only subsystems describing the dynamics of each latent entity but also a meta-system capturing the interaction between entities over time. Specifically, we argue that the meta-system evolving within a simplex is governed by projected differential equations (ProjDEs). We further analyze and provide neural-friendly projection operators in the context of Bregman divergence. Experimental results on synthetic and real-world datasets show the advantages of our approach when facing complex and cluttered sequential data compared to the state-of-the-art.  ( 2 min )

Development of autonomous cyber system defense strategies and action recommendations in the real-world is challenging, and includes characterizing system state uncertainties and attack-defense dynamics. We propose a data-driven deep reinforcement learning (DRL) framework to learn proactive, context-aware, defense countermeasures that dynamically adapt to evolving adversarial behaviors while minimizing loss of cyber system operations. A dynamic defense optimization problem is formulated with multiple protective postures against different types of adversaries with varying levels of skill and persistence. A custom simulation environment was developed and experiments were devised to systematically evaluate the performance of four model-free DRL algorithms against realistic, multi-stage attack sequences. Our results suggest the efficacy of DRL algorithms for proactive cyber defense under multi-stage attack profiles and system uncertainties.  ( 2 min )

Current state-of-the-art deep networks are all powered by backpropagation. In this paper, we explore alternatives to full backpropagation in the form of blockwise learning rules, leveraging the latest developments in self-supervised learning. We show that a blockwise pretraining procedure consisting of training independently the 4 main blocks of layers of a ResNet-50 with Barlow Twins' loss function at each block performs almost as well as end-to-end backpropagation on ImageNet: a linear probe trained on top of our blockwise pretrained model obtains a top-1 classification accuracy of 70.48%, only 1.1% below the accuracy of an end-to-end pretrained network (71.57% accuracy). We perform extensive experiments to understand the impact of different components within our method and explore a variety of adaptations of self-supervised learning to the blockwise paradigm, building an exhaustive understanding of the critical avenues for scaling local learning rules to large networks, with implications ranging from hardware design to neuroscience.  ( 2 min )

As AI-based decision systems proliferate, their successful operationalization requires balancing multiple desiderata: predictive performance, disparity across groups, safeguarding sensitive group attributes (e.g., race), and engineering cost. We present a holistic framework for evaluating and contextualizing fairness interventions with respect to the above desiderata. The two key points of practical consideration are where (pre-, in-, post-processing) and how (in what way the sensitive group data is used) the intervention is introduced. We demonstrate our framework using a thorough benchmarking study on predictive parity; we study close to 400 methodological variations across two major model types (XGBoost vs. Neural Net) and ten datasets. Methodological insights derived from our empirical study inform the practical design of ML workflow with fairness as a central concern. We find predictive parity is difficult to achieve without using group data, and despite requiring group data during model training (but not inference), distributionally robust methods provide significant Pareto improvement. Moreover, a plain XGBoost model often Pareto-dominates neural networks with fairness interventions, highlighting the importance of model inductive bias.  ( 2 min )

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g. a neural network) by fitting the model's residuals with a $k$-nearest neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels. Empirically, we show that ResMem consistently improves the test set generalization of the original prediction model across various standard vision and natural language processing benchmarks. Theoretically, we formulate a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over the base predictor.  ( 2 min )

Conventional clustering methods based on pairwise affinity usually suffer from the concentration effect while processing huge dimensional features yet low sample sizes data, resulting in inaccuracy to encode the sample proximity and suboptimal performance in clustering. To address this issue, we propose a unified tensor clustering method (UTC) that characterizes sample proximity using multiple samples' affinity, thereby supplementing rich spatial sample distributions to boost clustering. Specifically, we find that the triadic tensor affinity can be constructed via the Khari-Rao product of two affinity matrices. Furthermore, our early work shows that the fourth-order tensor affinity is defined by the Kronecker product. Therefore, we utilize arithmetical products, Khatri-Rao and Kronecker products, to mathematically integrate different orders of affinity into a unified tensor clustering framework. Thus, the UTC jointly learns a joint low-dimensional embedding to combine various orders. Finally, a numerical scheme is designed to solve the problem. Experiments on synthetic datasets and real-world datasets demonstrate that 1) the usage of high-order tensor affinity could provide a supplementary characterization of sample proximity to the popular affinity matrix; 2) the proposed method of UTC is affirmed to enhance clustering by exploiting different order affinities when processing high-dimensional data.  ( 2 min )

As deep neural networks (DNNs) prove their importance and feasibility, more and more DNN-based apps, such as detection and classification of objects, have been developed and deployed on autonomous vehicles (AVs). To meet their growing expectations and requirements, AVs should "optimize" use of their limited onboard computing resources for multiple concurrent in-vehicle apps while satisfying their timing requirements (especially for safety). That is, real-time AV apps should share the limited on-board resources with other concurrent apps without missing their deadlines dictated by the frame rate of a camera that generates and provides input images to the apps. However, most, if not all, of existing DNN solutions focus on enhancing the concurrency of their specific hardware without dynamically optimizing/modifying the DNN apps' resource requirements, subject to the number of running apps, owing to their high computational cost. To mitigate this limitation, we propose DynaMIX (Dynamic MIXed-precision model construction), which optimizes the resource requirement of concurrent apps and aims to maximize execution accuracy. To realize a real-time resource optimization, we formulate an optimization problem using app performance profiles to consider both the accuracy and worst-case latency of each app. We also propose dynamic model reconfiguration by lazy loading only the selected layers at runtime to reduce the overhead of loading the entire model. DynaMIX is evaluated in terms of constraint satisfaction and inference accuracy for a multi-tasking system and compared against state-of-the-art solutions, demonstrating its effectiveness and feasibility under various environmental/operating conditions.  ( 2 min )

Despite the great interest in the bandit problem, designing efficient algorithms for complex models remains challenging, as there is typically no analytical way to quantify uncertainty. In this paper, we propose Multiplier Bootstrap-based Exploration (MBE), a novel exploration strategy that is applicable to any reward model amenable to weighted loss minimization. We prove both instance-dependent and instance-independent rate-optimal regret bounds for MBE in sub-Gaussian multi-armed bandits. With extensive simulation and real data experiments, we show the generality and adaptivity of MBE.  ( 2 min )

We present a method of explainable artificial intelligence (XAI), "What I Know (WIK)", to provide additional information to verify the reliability of a deep learning model by showing an example of an instance in a training dataset that is similar to the input data to be inferred and demonstrate it in a remote sensing image classification task. One of the expected roles of XAI methods is verifying whether inferences of a trained machine learning model are valid for an application, and it is an important factor that what datasets are used for training the model as well as the model architecture. Our data-centric approach can help determine whether the training dataset is sufficient for each inference by checking the selected example data. If the selected example looks similar to the input data, we can confirm that the model was not trained on a dataset with a feature distribution far from the feature of the input data. With this method, the criteria for selecting an example are not merely data similarity with the input data but also data similarity in the context of the model task. Using a remote sensing image dataset from the Sentinel-2 satellite, the concept was successfully demonstrated with reasonably selected examples. This method can be applied to various machine-learning tasks, including classification and regression.  ( 2 min )

The principle of minimum potential and complementary energy are the most important variational principles in solid mechanics. The deep energy method (DEM), which has received much attention, is based on the principle of minimum potential energy and lacks the important form of minimum complementary energy. Thus, we propose the deep energy method based on the principle of minimum complementary energy (DCM). The output function of DCM is the stress function that naturally satisfies the equilibrium equation. We extend the proposed DCM algorithm (DCM-P), adding the terms that naturally satisfy the biharmonic equation in the Airy stress function. We combine operator learning with physical equations and propose a deep complementary energy operator method (DCM-O), including branch net, trunk net, basis net, and particular net. DCM-O first combines existing high-fidelity numerical results to train DCM-O through data. Then the complementary energy is used to train the branch net and trunk net in DCM-O. To analyze DCM performance, we present the numerical result of the most common stress functions, the Prandtl and Airy stress function. The proposed method DCM is used to model the representative mechanical problems with the different types of boundary conditions. We compare DCM with the existing PINNs and DEM algorithms. The result shows the advantage of the proposed DCM is suitable for dealing with problems of dominated displacement boundary conditions, which is reflected in theory and our numerical experiments. DCM-P and DCM-O improve the accuracy of DCM and the speed of calculation convergence. DCM is an essential supplementary energy form of the deep energy method. We believe that operator learning based on the energy method can balance data and physical equations well, giving computational mechanics broad research prospects.  ( 2 min )

Multi-resolution hash encoding has recently been proposed to reduce the computational cost of neural renderings, such as NeRF. This method requires accurate camera poses for the neural renderings of given scenes. However, contrary to previous methods jointly optimizing camera poses and 3D scenes, the naive gradient-based camera pose refinement method using multi-resolution hash encoding severely deteriorates performance. We propose a joint optimization algorithm to calibrate the camera pose and learn a geometric representation using efficient multi-resolution hash encoding. Showing that the oscillating gradient flows of hash encoding interfere with the registration of camera poses, our method addresses the issue by utilizing smooth interpolation weighting to stabilize the gradient oscillation for the ray samplings across hash grids. Moreover, the curriculum training procedure helps to learn the level-wise hash encoding, further increasing the pose refinement. Experiments on the novel-view synthesis datasets validate that our learning frameworks achieve state-of-the-art performance and rapid convergence of neural rendering, even when initial camera poses are unknown.  ( 2 min )

This paper describes the development of an on-board data-driven system that can monitor and localize the fault in a quadrotor unmanned aerial vehicle (UAV) and at the same time, evaluate the degree of damage of the fault under real scenarios. To achieve offline training data generation, a hybrid approach is proposed for the development of a virtual data-generative model using a combination of data-driven models as well as well-established dynamic models that describe the kinematics of the UAV. To effectively represent the drop in performance of a faulty propeller, a variation of the deep neural network, a LSTM network is proposed. With the RPM of the propeller as input and based on the fault condition of the propeller, the proposed propeller model estimates the resultant torque and thrust. Then, flight datasets of the UAV under various fault scenarios are generated via simulation using the developed data-generative model. Lastly, a fault classifier using a CNN model is proposed to identify as well as evaluate the degree of damage to the damaged propeller. The scope of this paper focuses on the identification of faulty propellers and classification of the fault level for quadrotor UAVs using RPM as well as flight data. Doing so allows for early minor fault detection to prevent serious faults from occurring if the fault is left unrepaired. To further validate the workability of this approach outside of simulation, a real-flight test is conducted indoors. The real flight data is collected and a simulation to real sim-real test is conducted. Due to the imperfections in the build of our experimental UAV, a slight calibration approach to our simulation model is further proposed and the experimental results obtained show that our trained model can identify the location of propeller fault as well as the degree/type of damage. Currently, the diagnosis accuracy on the testing set is over 80%.  ( 3 min )

Reliability is one of the major design criteria in Cyber-Physical Systems (CPSs). This is because of the existence of some critical applications in CPSs and their failure is catastrophic. Therefore, employing strong error detection and correction mechanisms in CPSs is inevitable. CPSs are composed of a variety of units, including sensors, networks, and microcontrollers. Each of these units is probable to be in a faulty state at any time and the occurred fault can result in erroneous output. The fault may cause the units of CPS to malfunction and eventually crash. Traditional fault-tolerant approaches include redundancy time, hardware, information, and/or software. However, these approaches impose significant overheads besides their low error coverage, which limits their applicability. In addition, the interval between error occurrence and detection is too long in these approaches. In this paper, based on Deep Reinforcement Learning (DRL), a new error detection approach is proposed that not only detects errors with high accuracy but also can perform error detection at the moment due to very low inference time. The proposed approach can categorize different types of errors from normal data and predict whether the system will fail. The evaluation results illustrate that the proposed approach has improved more than 2x in terms of accuracy and more than 5x in terms of inference time compared to other approaches.  ( 2 min )

Most graph neural networks follow the message passing mechanism. However, it faces the over-smoothing problem when multiple times of message passing is applied to a graph, causing indistinguishable node representations and prevents the model to effectively learn dependencies between farther-away nodes. On the other hand, features of neighboring nodes with different labels are likely to be falsely mixed, resulting in the heterophily problem. In this work, we propose to order the messages passing into the node representation, with specific blocks of neurons targeted for message passing within specific hops. This is achieved by aligning the hierarchy of the rooted-tree of a central node with the ordered neurons in its node representation. Experimental results on an extensive set of datasets show that our model can simultaneously achieve the state-of-the-art in both homophily and heterophily settings, without any targeted design. Moreover, its performance maintains pretty well while the model becomes really deep, effectively preventing the over-smoothing problem. Finally, visualizing the gating vectors shows that our model learns to behave differently between homophily and heterophily settings, providing an explainable graph neural model.  ( 2 min )

In this manuscript (ms), we propose causal inference based single-branch ensemble trees for uplift modeling, namely CIET. Different from standard classification methods for predictive probability modeling, CIET aims to achieve the change in the predictive probability of outcome caused by an action or a treatment. According to our CIET, two partition criteria are specifically designed to maximize the difference in outcome distribution between the treatment and control groups. Next, a novel single-branch tree is built by taking a top-down node partition approach, and the remaining samples are censored since they are not covered by the upper node partition logic. Repeating the tree-building process on the censored data, single-branch ensemble trees with a set of inference rules are thus formed. Moreover, CIET is experimentally demonstrated to outperform previous approaches for uplift modeling in terms of both area under uplift curve (AUUC) and Qini coefficient significantly. At present, CIET has already been applied to online personal loans in a national financial holdings group in China. CIET will also be of use to analysts applying machine learning techniques to causal inference in broader business domains such as web advertising, medicine and economics.  ( 2 min )

Maximizing a submodular function has a wide range of applications in machine learning and data mining. One such application is data summarization whose goal is to select a small set of representative and diverse data items from a large dataset. However, data items might have sensitive attributes such as race or gender, in this setting, it is important to design \emph{fairness-aware} algorithms to mitigate potential algorithmic bias that may cause over- or under- representation of particular groups. Motivated by that, we propose and study the classic non-monotone submodular maximization problem subject to novel group fairness constraints. Our goal is to select a set of items that maximizes a non-monotone submodular function, while ensuring that the number of selected items from each group is proportionate to its size, to the extent specified by the decision maker. We develop the first constant-factor approximation algorithms for this problem. We also extend the basic model to incorporate an additional global size constraint on the total number of selected items.  ( 2 min )

In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.  ( 2 min )

Federated learning (FL) is the most popular distributed machine learning technique. FL allows machine-learning models to be trained without acquiring raw data to a single point for processing. Instead, local models are trained with local data; the models are then shared and combined. This approach preserves data privacy as locally trained models are shared instead of the raw data themselves. Broadly, FL can be divided into horizontal federated learning (HFL) and vertical federated learning (VFL). For the former, different parties hold different samples over the same set of features; for the latter, different parties hold different feature data belonging to the same set of samples. In a number of practical scenarios, VFL is more relevant than HFL as different companies (e.g., bank and retailer) hold different features (e.g., credit history and shopping history) for the same set of customers. Although VFL is an emerging area of research, it is not well-established compared to HFL. Besides, VFL-related studies are dispersed, and their connections are not intuitive. Thus, this survey aims to bring these VFL-related studies to one place. Firstly, we classify existing VFL structures and algorithms. Secondly, we present the threats from security and privacy perspectives to VFL. Thirdly, for the benefit of future researchers, we discussed the challenges and prospects of VFL in detail.  ( 2 min )

Knowledge distillation (KD) is a highly promising method for mitigating the computational problems of pre-trained language models (PLMs). Among various KD approaches, Intermediate Layer Distillation (ILD) has been a de facto standard KD method with its performance efficacy in the NLP field. In this paper, we find that existing ILD methods are prone to overfitting to training datasets, although these methods transfer more information than the original KD. Next, we present the simple observations to mitigate the overfitting of ILD: distilling only the last Transformer layer and conducting ILD on supplementary tasks. Based on our two findings, we propose a simple yet effective consistency-regularized ILD (CR-ILD), which prevents the student model from overfitting the training dataset. Substantial experiments on distilling BERT on the GLUE benchmark and several synthetic datasets demonstrate that our proposed ILD method outperforms other KD techniques. Our code is available at https://github.com/jongwooko/CR-ILD.  ( 2 min )

To identify patients who are hospitalized because of COVID-19 as opposed to those who were admitted for other indications, we compared the performance of different computable phenotype definitions for COVID-19 hospitalizations that use different types of data from the electronic health records (EHR), including structured EHR data elements, provider notes, or a combination of both data types. And conduct a retrospective data analysis utilizing chart review-based validation. Participants are 586 hospitalized individuals who tested positive for SARS-CoV-2 during January 2022. We used natural language processing to incorporate data from provider notes and LASSO regression and Random Forests to fit classification algorithms that incorporated structured EHR data elements, provider notes, or a combination of structured data and provider notes. Results: Based on a chart review, 38% of 586 patients were determined to be hospitalized for reasons other than COVID-19 despite having tested positive for SARS-CoV-2. A classification algorithm that used provider notes had significantly better discrimination than one that used structured EHR data elements (AUROC: 0.894 vs 0.841, p < 0.001), and performed similarly to a model that combined provider notes with structured data elements (AUROC: 0.894 vs 0.893). Assessments of hospital outcome metrics significantly differed based on whether the population included all hospitalized patients who tested positive for SARS-CoV-2 versus those who were determined to have been hospitalized due to COVID-19. This work demonstrates the utility of natural language processing approaches to derive information related to patient hospitalizations in cases where there may be multiple conditions that could serve as the primary indication for hospitalization.  ( 3 min )

In digital online advertising, advertisers procure ad impressions simultaneously on multiple platforms, or so-called channels, such as Google Ads, Meta Ads Manager, etc., each of which consists of numerous ad auctions. We study how an advertiser maximizes total conversion (e.g. ad clicks) while satisfying aggregate return-on-investment (ROI) and budget constraints across all channels. In practice, an advertiser does not have control over, and thus cannot globally optimize, which individual ad auctions she participates in for each channel, and instead authorizes a channel to procure impressions on her behalf: the advertiser can only utilize two levers on each channel, namely setting a per-channel budget and per-channel target ROI. In this work, we first analyze the effectiveness of each of these levers for solving the advertiser's global multi-channel problem. We show that when an advertiser only optimizes over per-channel ROIs, her total conversion can be arbitrarily worse than what she could have obtained in the global problem. Further, we show that the advertiser can achieve the global optimal conversion when she only optimizes over per-channel budgets. In light of this finding, under a bandit feedback setting that mimics real-world scenarios where advertisers have limited information on ad auctions in each channels and how channels procure ads, we present an efficient learning algorithm that produces per-channel budgets whose resulting conversion approximates that of the global optimal problem. Finally, we argue that all our results hold for both single-item and multi-item auctions from which channels procure impressions on advertisers' behalf.  ( 2 min )

Blackwell's celebrated approachability theory provides a general framework for a variety of learning problems, including regret minimization. However, Blackwell's proof and implicit algorithm measure approachability using the $\ell_2$ (Euclidean) distance. We argue that in many applications such as regret minimization, it is more useful to study approachability under other distance metrics, most commonly the $\ell_\infty$-metric. But, the time and space complexity of the algorithms designed for $\ell_\infty$-approachability depend on the dimension of the space of the vectorial payoffs, which is often prohibitively large. Thus, we present a framework for converting high-dimensional $\ell_\infty$-approachability problems to low-dimensional pseudonorm approachability problems, thereby resolving such issues. We first show that the $\ell_\infty$-distance between the average payoff and the approachability set can be equivalently defined as a pseudodistance between a lower-dimensional average vector payoff and a new convex set we define. Next, we develop an algorithmic theory of pseudonorm approachability, analogous to previous work on approachability for $\ell_2$ and other norms, showing that it can be achieved via online linear optimization (OLO) over a convex set given by the Fenchel dual of the unit pseudonorm ball. We then use that to show, modulo mild normalization assumptions, that there exists an $\ell_\infty$-approachability algorithm whose convergence is independent of the dimension of the original vectorial payoff. We further show that that algorithm admits a polynomial-time complexity, assuming that the original $\ell_\infty$-distance can be computed efficiently. We also give an $\ell_\infty$-approachability algorithm whose convergence is logarithmic in that dimension using an FTRL algorithm with a maximum-entropy regularizer.  ( 2 min )

Most if not all on-line item-to-item recommendation systems rely on estimation of a distance like measure (rank) of similarity between items. For on-line recommendation systems, time sensitivity of this similarity measure is extremely important. We observe that recommendation "recency" can be straightforwardly and transparently maintained by iterative reduction of ranks of inactive items. The paper briefly summarizes algorithmic developments based on this self-explanatory observation. The basic idea behind this work is patented in a context of online recommendation systems.  ( 2 min )

Gaussian process upper confidence bound (GP-UCB) is a theoretically promising approach for black-box optimization; however, the confidence parameter $\beta$ is considerably large in the theorem and chosen heuristically in practice. Then, randomized GP-UCB (RGP-UCB) uses a randomized confidence parameter, which follows the Gamma distribution, to mitigate the impact of manually specifying $\beta$. This study first generalizes the regret analysis of RGP-UCB to a wider class of distributions, including the Gamma distribution. Furthermore, we propose improved RGP-UCB (IRGP-UCB) based on a two-parameter exponential distribution, which achieves tight Bayesian regret bounds. IRGP-UCB does not require an increase in the confidence parameter in terms of the number of iterations, which avoids over-exploration in the later iterations. Finally, we demonstrate the effectiveness of IRGP-UCB through extensive experiments.  ( 2 min )

One of the most critical problems in machine learning is HyperParameter Optimization (HPO), since choice of hyperparameters has a significant impact on final model performance. Although there are many HPO algorithms, they either have no theoretical guarantees or require strong assumptions. To this end, we introduce BLiE -- a Lipschitz-bandit-based algorithm for HPO that only assumes Lipschitz continuity of the objective function. BLiE exploits the landscape of the objective function to adaptively search over the hyperparameter space. Theoretically, we show that $(i)$ BLiE finds an $\epsilon$-optimal hyperparameter with $O \left( \frac{1}{\epsilon} \right)^{d_z + \beta}$ total budgets, where $d_z$ and $\beta$ are problem intrinsic; $(ii)$ BLiE is highly parallelizable. Empirically, we demonstrate that BLiE outperforms the state-of-the-art HPO algorithms on benchmark tasks. We also apply BLiE to search for noise schedule of diffusion models. Comparison with the default schedule shows that BLiE schedule greatly improves the sampling speed.  ( 2 min )

We analyze a practical algorithm for sparse PCA on incomplete and noisy data under a general non-random sampling scheme. The algorithm is based on a semidefinite relaxation of the $\ell_1$-regularized PCA problem. We provide theoretical justification that under certain conditions, we can recover the support of the sparse leading eigenvector with high probability by obtaining a unique solution. The conditions involve the spectral gap between the largest and second-largest eigenvalues of the true data matrix, the magnitude of the noise, and the structural properties of the observed entries. The concepts of algebraic connectivity and irregularity are used to describe the structural properties of the observed entries. We empirically justify our theorem with synthetic and real data analysis. We also show that our algorithm outperforms several other sparse PCA approaches especially when the observed entries have good structural properties. As a by-product of our analysis, we provide two theorems to handle a deterministic sampling scheme, which can be applied to other matrix-related problems.  ( 2 min )

As the amount of text data generated by humans and machines increases, the necessity of understanding large corpora and finding a way to extract insights from them is becoming more crucial than ever. Dynamic topic models are effective methods that primarily focus on studying the evolution of topics present in a collection of documents. These models are widely used for understanding trends, exploring public opinion in social networks, or tracking research progress and discoveries in scientific archives. Since topics are defined as clusters of semantically similar documents, it is necessary to observe the changes in the content or themes of these clusters in order to understand how topics evolve as new knowledge is discovered over time. In this paper, we introduce the Aligned Neural Topic Model (ANTM), a dynamic neural topic model that uses document embeddings to compute clusters of semantically similar documents at different periods and to align document clusters to represent their evolution. This alignment procedure preserves the temporal similarity of document clusters over time and captures the semantic change of words characterized by their context within different periods. Experiments on four different datasets show that ANTM outperforms probabilistic dynamic topic models (e.g. DTM, DETM) and significantly improves topic coherence and diversity over other existing dynamic neural topic models (e.g. BERTopic).  ( 2 min )

We present a novel loss formulation for efficient learning of complex dynamics from governing physics, typically described by partial differential equations (PDEs), using physics-informed neural networks (PINNs). In our experiments, existing versions of PINNs are seen to learn poorly in many problems, especially for complex geometries, as it becomes increasingly difficult to establish appropriate sampling strategy at the near boundary region. Overly dense sampling can adversely impede training convergence if the local gradient behaviors are too complex to be adequately modelled by PINNs. On the other hand, if the samples are too sparse, existing PINNs tend to overfit the near boundary region, leading to incorrect solution. To prevent such issues, we propose a new Boundary Connectivity (BCXN) loss function which provides linear local structure approximation (LSA) to the gradient behaviors at the boundary for PINN. Our BCXN-loss implicitly imposes local structure during training, thus facilitating fast physics-informed learning across entire problem domains with order of magnitude sparser training samples. This LSA-PINN method shows a few orders of magnitude smaller errors than existing methods in terms of the standard L2-norm metric, while using dramatically fewer training samples and iterations. Our proposed LSA-PINN does not pose any requirement on the differentiable property of the networks, and we demonstrate its benefits and ease of implementation on both multi-layer perceptron and convolutional neural network versions as commonly used in current PINN literature.  ( 2 min )

Modern machine learning techniques have been extensively applied to materials science, especially for property prediction tasks. A majority of these methods address scalar property predictions, while more challenging spectral properties remain less emphasized. We formulate a crystal-to-sequence learning task and propose a novel attention-based learning method, Xtal2DoS, which decodes the sequential representation of the material density of states (DoS) properties by incorporating the learned atomic embeddings through attention networks. Experiments show Xtal2DoS is faster than the existing models, and consistently outperforms other state-of-the-art methods on four metrics for two fundamental spectral properties, phonon and electronic DoS.  ( 2 min )

The Metaverse is emerging as maturing technologies are empowering the different facets. Virtual Reality (VR) technologies serve as the backbone of the virtual universe within the Metaverse to offer a highly immersive user experience. As mobility is emphasized in the Metaverse context, VR devices reduce their weights at the sacrifice of local computation abilities. In this paper, for a system consisting of a Metaverse server and multiple VR users, we consider two cases of (i) the server generating frames and transmitting them to users, and (ii) users generating frames locally and thus consuming device energy. Moreover, in our multi-user VR scenario for the Metaverse, users have different characteristics and demands for Frames Per Second (FPS). Then the channel access arrangement (including the decisions on frame generation location), and transmission powers for the downlink communications from the server to the users are jointly optimized to improve the utilities of users. This joint optimization is addressed by deep reinforcement learning (DRL) with heterogeneous actions. Our proposed user-centric DRL algorithm is called User-centric Critic with Heterogenous Actors (UCHA). Extensive experiments demonstrate that our UCHA algorithm leads to remarkable results under various requirements and constraints.  ( 2 min )

In recent years, recommender systems have advanced rapidly, where embedding learning for users and items plays a critical role. A standard method learns a unique embedding vector for each user and item. However, such a method has two important limitations in real-world applications: 1) it is hard to learn embeddings that generalize well for users and items with rare interactions on their own; and 2) it may incur unbearably high memory costs when the number of users and items scales up. Existing approaches either can only address one of the limitations or have flawed overall performances. In this paper, we propose Clustered Embedding Learning (CEL) as an integrated solution to these two problems. CEL is a plug-and-play embedding learning framework that can be combined with any differentiable feature interaction model. It is capable of achieving improved performance, especially for cold users and items, with reduced memory cost. CEL enables automatic and dynamic clustering of users and items in a top-down fashion, where clustered entities jointly learn a shared embedding. The accelerated version of CEL has an optimal time complexity, which supports efficient online updates. Theoretically, we prove the identifiability and the existence of a unique optimal number of clusters for CEL in the context of nonnegative matrix factorization. Empirically, we validate the effectiveness of CEL on three public datasets and one business dataset, showing its consistently superior performance against current state-of-the-art methods. In particular, when incorporating CEL into the business model, it brings an improvement of $+0.6\%$ in AUC, which translates into a significant revenue gain; meanwhile, the size of the embedding table gets $2650$ times smaller.  ( 2 min )

In recent years, by leveraging more data, computation, and diverse tasks, learned optimizers have achieved remarkable success in supervised learning optimization, outperforming classical hand-designed optimizers. However, in practice, these learned optimizers fail to generalize to reinforcement learning tasks due to unstable and complex loss landscapes. Moreover, neither hand-designed optimizers nor learned optimizers have been specifically designed to address the unique optimization properties in reinforcement learning. In this work, we take a data-driven approach to learn to optimize for reinforcement learning using meta-learning. We introduce a novel optimizer structure that significantly improves the training efficiency of learned optimizers, making it possible to learn an optimizer for reinforcement learning from scratch. Although trained in toy tasks, our learned optimizer demonstrates its generalization ability to unseen complex tasks. Finally, we design a set of small gridworlds to train the first general-purpose optimizer for reinforcement learning.  ( 2 min )

We study preferential Bayesian optimization (BO) where reliable feedback is limited to pairwise comparison called duels. An important challenge in preferential BO, which uses the preferential Gaussian process (GP) model to represent flexible preference structure, is that the posterior distribution is a computationally intractable skew GP. The most widely used approach for preferential BO is Gaussian approximation, which ignores the skewness of the true posterior. Alternatively, Markov chain Monte Carlo (MCMC) based preferential BO is also proposed. In this work, we first verify the accuracy of Gaussian approximation, from which we reveal the critical problem that the predictive probability of duels can be inaccurate. This observation motivates us to improve the MCMC-based estimation for skew GP, for which we show the practical efficiency of Gibbs sampling and derive the low variance MC estimator. However, the computational time of MCMC can still be a bottleneck in practice. Towards building a more practical preferential BO, we develop a new method that achieves both high computational efficiency and low sample complexity, and then demonstrate its effectiveness through extensive numerical experiments.  ( 2 min )

Automation of test oracles is one of the most challenging facets of software testing, but remains comparatively less addressed compared to automated test input generation. Test oracles rely on a ground-truth that can distinguish between the correct and buggy behavior to determine whether a test fails (detects a bug) or passes. What makes the oracle problem challenging and undecidable is the assumption that the ground-truth should know the exact expected, correct, or buggy behavior. However, we argue that one can still build an accurate oracle without knowing the exact correct or buggy behavior, but how these two might differ. This paper presents SEER, a learning-based approach that in the absence of test assertions or other types of oracle, can determine whether a unit test passes or fails on a given method under test (MUT). To build the ground-truth, SEER jointly embeds unit tests and the implementation of MUTs into a unified vector space, in such a way that the neural representation of tests are similar to that of MUTs they pass on them, but dissimilar to MUTs they fail on them. The classifier built on top of this vector representation serves as the oracle to generate "fail" labels, when test inputs detect a bug in MUT or "pass" labels, otherwise. Our extensive experiments on applying SEER to more than 5K unit tests from a diverse set of open-source Java projects show that the produced oracle is (1) effective in predicting the fail or pass labels, achieving an overall accuracy, precision, recall, and F1 measure of 93%, 86%, 94%, and 90%, (2) generalizable, predicting the labels for the unit test of projects that were not in training or validation set with negligible performance drop, and (3) efficient, detecting the existence of bugs in only 6.5 milliseconds on average.  ( 3 min )

Recent works have demonstrated the benefits of capturing long-distance dependency in graphs by deeper graph neural networks (GNNs). But deeper GNNs suffer from the long-lasting scalability challenge due to the neighborhood explosion problem in large-scale graphs. In this work, we propose to capture long-distance dependency in graphs by shallower models instead of deeper models, which leads to a much more efficient model, LazyGNN, for graph representation learning. Moreover, we demonstrate that LazyGNN is compatible with existing scalable approaches (such as sampling methods) for further accelerations through the development of mini-batch LazyGNN. Comprehensive experiments demonstrate its superior prediction performance and scalability on large-scale benchmarks. LazyGNN also achieves state-of-art performance on the OGB leaderboard.  ( 2 min )

Side-channel attacks that use machine learning (ML) for signal analysis have become prominent threats to computer security, as ML models easily find patterns in signals. To address this problem, this paper explores using Adversarial Machine Learning (AML) methods as a defense at the computer architecture layer to obfuscate side channels. We call this approach Defensive ML, and the generator to obfuscate signals, defender. Defensive ML is a workflow to design, implement, train, and deploy defenders for different environments. First, we design a defender architecture given the physical characteristics and hardware constraints of the side-channel. Next, we use our DefenderGAN structure to train the defender. Finally, we apply defensive ML to thwart two side-channel attacks: one based on memory contention and the other on application power. The former uses a hardware defender with ns-level response time that attains a high level of security with half the performance impact of a traditional scheme; the latter uses a software defender with ms-level response time that provides better security than a traditional scheme with only 70% of its power overhead.  ( 2 min )

Domain generalization aims to build generalized models that perform well on unseen domains when only source domains are available for model optimization. Recent studies have demonstrated that large-scale pre-trained models could play an important role in domain generalization by providing their generalization power. However, large-scale pre-trained models are not fully equipped with target task-specific knowledge due to a discrepancy between the pre-training objective and the target task. Although the task-specific knowledge could be learned from source domains by fine-tuning, this hurts the generalization power of the pre-trained models because of gradient bias toward the source domains. To address this issue, we propose a new domain generalization method that estimates unobservable gradients that reduce potential risks in unseen domains, using a large-scale pre-trained model. Our proposed method allows the pre-trained model to learn task-specific knowledge further while preserving its generalization ability with the estimated gradients. Experimental results show that our proposed method outperforms baseline methods on DomainBed, a standard benchmark in domain generalization. We also provide extensive analyses to demonstrate that the estimated unobserved gradients relieve the gradient bias, and the pre-trained model learns the task-specific knowledge without sacrificing its generalization power.  ( 2 min )

Self-supervised representation learning approaches have grown in popularity due to the ability to train models on large amounts of unlabeled data and have demonstrated success in diverse fields such as natural language processing, computer vision, and speech. Previous self-supervised work in the speech domain has disentangled multiple attributes of speech such as linguistic content, speaker identity, and rhythm. In this work, we introduce a self-supervised approach to disentangle room acoustics from speech and use the acoustic representation on the downstream task of device arbitration. Our results demonstrate that our proposed approach significantly improves performance over a baseline when labeled training data is scarce, indicating that our pretraining scheme learns to encode room acoustic information while remaining invariant to other attributes of the speech signal.  ( 2 min )

Foundation models (FMs), that are trained on broad data at scale and are adaptable to a wide range of downstream tasks, have brought large interest in the research community. Benefiting from the diverse data sources such as different modalities, languages and application domains, foundation models have demonstrated strong generalization and knowledge transfer capabilities. In this paper, we present a pioneering study towards building an efficient solution for FM-based speech recognition systems. We adopt the recently developed self-supervised BEST-RQ for pretraining, and propose the joint finetuning with both source and unsupervised target domain data using JUST Hydra. The FM encoder adapter and decoder are then finetuned to the target domain with a small amount of supervised in-domain data. On a large-scale YouTube and Voice Search task, our method is shown to be both data and model parameter efficient. It achieves the same quality with only 21.6M supervised in-domain data and 130.8M finetuned parameters, compared to the 731.1M model trained from scratch on additional 300M supervised in-domain data.  ( 2 min )

Many policy-based reinforcement learning (RL) algorithms can be viewed as instantiations of approximate policy iteration (PI), i.e., where policy improvement and policy evaluation are both performed approximately. In applications where the average reward objective is the meaningful performance metric, often discounted reward formulations are used with the discount factor being close to 1, which is equivalent to making the expected horizon very large. However, the corresponding theoretical bounds for error performance scale with the square of the horizon. Thus, even after dividing the total reward by the length of the horizon, the corresponding performance bounds for average reward problems go to infinity. Therefore, an open problem has been to obtain meaningful performance bounds for approximate PI and RL algorithms for the average-reward setting. In this paper, we solve this open problem by obtaining the first non-trivial error bounds for average-reward MDPs which go to zero in the limit where when policy evaluation and policy improvement errors go to zero.  ( 2 min )

Spiking neural networks (SNNs) are energy-efficient neural networks because of their spiking nature. However, as the spike firing rate of SNNs increases, the energy consumption does as well, and thus, the advantage of SNNs diminishes. Here, we tackle this problem by introducing a novel penalty term for the spiking activity into the objective function in the training phase. Our method is designed so as to optimize the energy consumption metric directly without modifying the network architecture. Therefore, the proposed method can reduce the energy consumption more than other methods while maintaining the accuracy. We conducted experiments for image classification tasks, and the results indicate the effectiveness of the proposed method, which mitigates the dilemma of the energy--accuracy trade-off.  ( 2 min )

We study stochastic optimization with linearly correlated noise. Our study is motivated by recent methods for optimization with differential privacy (DP), such as DP-FTRL, which inject noise via matrix factorization mechanisms. We propose an optimization problem that distils key facets of these DP methods and that involves perturbing gradients by linearly correlated noise. We derive improved convergence rates for gradient descent in this framework for convex and non-convex loss functions. Our theoretical analysis is novel and might be of independent interest. We use these convergence rates to develop new, effective matrix factorizations for differentially private optimization, and highlight the benefits of these factorizations theoretically and empirically.  ( 2 min )

Improving the emotional awareness of pre-trained language models is an emerging important problem for dialogue generation tasks. Although prior studies have introduced methods to improve empathetic dialogue generation, few have discussed how to incorporate commonsense knowledge into pre-trained language models for controllable dialogue generation. In this study, we propose a novel framework that improves empathetic dialogue generation using pre-trained language models by 1) incorporating commonsense knowledge through prompt verbalization, and 2) controlling dialogue generation using a strategy-driven future discriminator. We conducted experiments to reveal that both the incorporation of social commonsense knowledge and enforcement of control over generation help to improve generation performance. Finally, we discuss the implications of our study for future research.  ( 2 min )

Deep neural networks have seen enormous success in various real-world applications. Beyond their predictions as point estimates, increasing attention has been focused on quantifying the uncertainty of their predictions. In this review, we show that the uncertainty of deep neural networks is not only important in a sense of interpretability and transparency, but also crucial in further advancing their performance, particularly in learning systems seeking robustness and efficiency. We will generalize the definition of the uncertainty of deep neural networks to any number or vector that is associated with an input or an input-label pair, and catalog existing methods on ``mining'' such uncertainty from a deep model. We will include those methods from the classic field of uncertainty quantification as well as those methods that are specific to deep neural networks. We then show a wide spectrum of applications of such generalized uncertainty in realistic learning tasks including robust learning such as noisy learning, adversarially robust learning; data-efficient learning such as semi-supervised and weakly-supervised learning; and model-efficient learning such as model compression and knowledge distillation.  ( 2 min )

Serving large-scale machine learning (ML) models efficiently and with low latency has become challenging owing to increasing model size and complexity. Quantizing models can simultaneously reduce memory and compute requirements, facilitating their widespread access. However, for large models not all layers are equally amenable to the same numerical precision and aggressive quantization can lead to unacceptable loss in model accuracy. One approach to prevent this accuracy degradation is mixed-precision quantization, which allows different tensors to be quantized to varying levels of numerical precision, leveraging the capabilities of modern hardware. Such mixed-precision quantiztaion can more effectively allocate numerical precision to different tensors `as needed' to preserve model accuracy while reducing footprint and compute latency. In this paper, we propose a method to efficiently determine quantization configurations of different tensors in ML models using post-training mixed precision quantization. We analyze three sensitivity metrics and evaluate them for guiding configuration search of two algorithms. We evaluate our method for computer vision and natural language processing and demonstrate latency reductions of up to 27.59% and 34.31% compared to the baseline 16-bit floating point model while guaranteeing no more than 1% accuracy degradation.  ( 2 min )

We study stochastic delayed feedback in general multi-agent sequential decision making, which includes bandits, single-agent Markov decision processes (MDPs), and Markov games (MGs). We propose a novel reduction-based framework, which turns any multi-batched algorithm for sequential decision making with instantaneous feedback into a sample-efficient algorithm that can handle stochastic delays in sequential decision making. By plugging different multi-batched algorithms into our framework, we provide several examples demonstrating that our framework not only matches or improves existing results for bandits, tabular MDPs, and tabular MGs, but also provides the first line of studies on delays in sequential decision making with function approximation. In summary, we provide a complete set of sharp results for multi-agent sequential decision making with delayed feedback.  ( 2 min )

"AI as a Service" (AIaaS) is a rapidly growing market, offering various plug-and-play AI services and tools. AIaaS enables its customers (users) - who may lack the expertise, data, and/or resources to develop their own systems - to easily build and integrate AI capabilities into their applications. Yet, it is known that AI systems can encapsulate biases and inequalities that can have societal impact. This paper argues that the context-sensitive nature of fairness is often incompatible with AIaaS' 'one-size-fits-all' approach, leading to issues and tensions. Specifically, we review and systematise the AIaaS space by proposing a taxonomy of AI services based on the levels of autonomy afforded to the user. We then critically examine the different categories of AIaaS, outlining how these services can lead to biases or be otherwise harmful in the context of end-user applications. In doing so, we seek to draw research attention to the challenges of this emerging area.  ( 2 min )

In neural networks, continual learning results in gradient interference among sequential tasks, leading to catastrophic forgetting of old tasks while learning new ones. This issue is addressed in recent methods by storing the important gradient spaces for old tasks and updating the model orthogonally during new tasks. However, such restrictive orthogonal gradient updates hamper the learning capability of the new tasks resulting in sub-optimal performance. To improve new learning while minimizing forgetting, in this paper we propose a Scaled Gradient Projection (SGP) method, where we combine the orthogonal gradient projections with scaled gradient steps along the important gradient spaces for the past tasks. The degree of gradient scaling along these spaces depends on the importance of the bases spanning them. We propose an efficient method for computing and accumulating importance of these bases using the singular value decomposition of the input representations for each task. We conduct extensive experiments ranging from continual image classification to reinforcement learning tasks and report better performance with less training overhead than the state-of-the-art approaches.  ( 2 min )

``Effective robustness'' measures the extra out-of-distribution (OOD) robustness beyond what can be predicted from the in-distribution (ID) performance. Existing effective robustness evaluations typically use a single test set such as ImageNet to evaluate ID accuracy. This becomes problematic when evaluating models trained on different data distributions, e.g., comparing models trained on ImageNet vs. zero-shot language-image pre-trained models trained on LAION. In this paper, we propose a new effective robustness evaluation metric to compare the effective robustness of models trained on different data distributions. To do this we control for the accuracy on multiple ID test sets that cover the training distributions for all the evaluated models. Our new evaluation metric provides a better estimate of the effectiveness robustness and explains the surprising effective robustness gains of zero-shot CLIP-like models exhibited when considering only one ID dataset, while the gains diminish under our evaluation.  ( 2 min )

Fair machine learning methods seek to train models that balance model performance across demographic subgroups defined over sensitive attributes like race and gender. Although sensitive attributes are typically assumed to be known during training, they may not be available in practice due to privacy and other logistical concerns. Recent work has sought to train fair models without sensitive attributes on training data. However, these methods need extensive hyper-parameter tuning to achieve good results, and hence assume that sensitive attributes are known on validation data. However, this assumption too might not be practical. Here, we propose Antigone, a framework to train fair classifiers without access to sensitive attributes on either training or validation data. Instead, we generate pseudo sensitive attributes on the validation data by training a biased classifier and using the classifier's incorrectly (correctly) labeled examples as proxies for minority (majority) groups. Since fairness metrics like demographic parity, equal opportunity and subgroup accuracy can be estimated to within a proportionality constant even with noisy sensitive attribute information, we show theoretically and empirically that these proxy labels can be used to maximize fairness under average accuracy constraints. Key to our results is a principled approach to select the hyper-parameters of the biased classifier in a completely unsupervised fashion (meaning without access to ground truth sensitive attributes) that minimizes the gap between fairness estimated using noisy versus ground-truth sensitive labels.  ( 2 min )

In digital marketing, experimenting with new website content is one of the key levers to improve customer engagement. However, creating successful marketing content is a manual and time-consuming process that lacks clear guiding principles. This paper seeks to close the loop between content creation and online experimentation by offering marketers AI-driven actionable insights based on historical data to improve their creative process. We present a neural-network-based system that scores and extracts insights from a marketing content design, namely, a multimodal neural network predicts the attractiveness of marketing contents, and a post-hoc attribution method generates actionable insights for marketers to improve their content in specific marketing locations. Our insights not only point out the advantages and drawbacks of a given current content, but also provide design recommendations based on historical data. We show that our scoring model and insights work well both quantitatively and qualitatively.  ( 2 min )

Most work on the formal verification of neural networks has focused on bounding forward images of neural networks, i.e., the set of outputs of a neural network that correspond to a given set of inputs (for example, bounded perturbations of a nominal input). However, many use cases of neural network verification require solving the inverse problem, i.e, over-approximating the set of inputs that lead to certain outputs. In this work, we present the first efficient bound propagation algorithm, INVPROP, for verifying properties over the preimage of a linearly constrained output set of a neural network, which can be combined with branch-and-bound to achieve completeness. Our efficient algorithm allows multiple passes of intermediate bound refinements, which are crucial for tight inverse verification because the bounds of an intermediate layer depend on relaxations both before and after this layer. We demonstrate our algorithm on applications related to quantifying safe control regions for a dynamical system and detecting out-of-distribution inputs to a neural network. Our results show that in certain settings, we can find over-approximations that are over 2500 times tighter than prior work while being 2.5 times faster on the same hardware.  ( 2 min )

Alzheimer's disease is a degenerative brain disease. Being the primary cause of Dementia in adults and progressively destroys brain memory. Though Alzheimer's disease does not have a cure currently, diagnosing it at an earlier stage will help reduce the severity of the disease. Thus, early diagnosis of Alzheimer's could help to reduce or stop the disease from progressing. In this paper, we proposed a deep convolutional neural network-based model for learning model using to determine the stage of Dementia in adults based on the Magnetic Resonance Imaging (MRI) images to detect the early onset of Alzheimer's.  ( 2 min )

Learning good image representations that are beneficial to downstream tasks is a challenging task in computer vision. As such, a wide variety of self-supervised learning approaches have been proposed. Among them, contrastive learning has shown competitive performance on several benchmark datasets. The embeddings of contrastive learning are arranged on a hypersphere that results in using the inner (dot) product as a distance measurement in Euclidean space. However, the underlying structure of many scientific fields like social networks, brain imaging, and computer graphics data exhibit highly non-Euclidean latent geometry. We propose a novel contrastive learning framework to learn semantic relationships in the hyperbolic space. Hyperbolic space is a continuous version of trees that naturally owns the ability to model hierarchical structures and is thus beneficial for efficient contrastive representation learning. We also extend the proposed Hyperbolic Contrastive Learning (HCL) to the supervised domain and studied the adversarial robustness of HCL. The comprehensive experiments show that our proposed method achieves better results on self-supervised pretraining, supervised classification, and higher robust accuracy than baseline methods.  ( 2 min )

Modern deep learning requires large volumes of data, which could contain sensitive or private information which cannot be leaked. Recent work has shown for homogeneous neural networks a large portion of this training data could be reconstructed with only access to the trained network parameters. While the attack was shown to work empirically, there exists little formal understanding of its effectiveness regime, and ways to defend against it. In this work, we first build a stronger version of the dataset reconstruction attack and show how it can provably recover its entire training set in the infinite width regime. We then empirically study the characteristics of this attack on two-layer networks and reveal that its success heavily depends on deviations from the frozen infinite-width Neural Tangent Kernel limit. More importantly, we formally show for the first time that dataset reconstruction attacks are a variation of dataset distillation. This key theoretical result on the unification of dataset reconstruction and distillation not only sheds more light on the characteristics of the attack but enables us to design defense mechanisms against them via distillation algorithms.  ( 2 min )

Randomized ensemble classifiers (RECs), where one classifier is randomly selected during inference, have emerged as an attractive alternative to traditional ensembling methods for realizing adversarially robust classifiers with limited compute requirements. However, recent works have shown that existing methods for constructing RECs are more vulnerable than initially claimed, casting major doubts on their efficacy and prompting fundamental questions such as: "When are RECs useful?", "What are their limits?", and "How do we train them?". In this work, we first demystify RECs as we derive fundamental results regarding their theoretical limits, necessary and sufficient conditions for them to be useful, and more. Leveraging this new understanding, we propose a new boosting algorithm (BARRE) for training robust RECs, and empirically demonstrate its effectiveness at defending against strong $\ell_\infty$ norm-bounded adversaries across various network architectures and datasets.  ( 2 min )

The top-k operator returns a k-sparse vector, where the non-zero values correspond to the k largest values of the input. Unfortunately, because it is a discontinuous function, it is difficult to incorporate in neural networks trained end-to-end with backpropagation. Recent works have considered differentiable relaxations, based either on regularization or perturbation techniques. However, to date, no approach is fully differentiable and sparse. In this paper, we propose new differentiable and sparse top-k operators. We view the top-k operator as a linear program over the permutahedron, the convex hull of permutations. We then introduce a p-norm regularization term to smooth out the operator, and show that its computation can be reduced to isotonic optimization. Our framework is significantly more general than the existing one and allows for example to express top-k operators that select values in magnitude. On the algorithmic side, in addition to pool adjacent violator (PAV) algorithms, we propose a new GPU/TPU-friendly Dykstra algorithm to solve isotonic optimization problems. We successfully use our operators to prune weights in neural networks, to fine-tune vision transformers, and as a router in sparse mixture of experts.  ( 2 min )

This paper investigates the use of prior computation to estimate the value function to improve sample efficiency in on-policy policy gradient methods in reinforcement learning. Our approach is to estimate the value function from prior computations, such as from the Q-network learned in DQN or the value function trained for different but related environments. In particular, we learn a new value function for the target task while combining it with a value estimate from the prior computation. Finally, the resulting value function is used as a baseline in the policy gradient method. This use of a baseline has the theoretical property of reducing variance in gradient computation and thus improving sample efficiency. The experiments show the successful use of prior value estimates in various settings and improved sample efficiency in several tasks.  ( 2 min )

Continuous Blood Glucose (CGM) monitors have revolutionized the ability of diabetics to manage their blood glucose, and paved the way for artificial pancreas systems. In this paper we augment CGM data with sensor input collected by a smart phone and use it to provide analytical tools for patients and clinicians. We collected GPS data, activity classifications, and blood glucose data with a custom iOS application over a 9 month period from a single free-living type-1 diabetic patient. This data set is novel in terms of it's size, the inclusion of GPS data, and the fact that it was collected non-intrusively from a free-living patient. We describe a method to measure the occurrence of lifestyle \textit{events} based on GPS and activity data, and show that they can capture instances of food consumption and are therefore correlated to changes in blood glucose. Finally, we incorporate these event representations into our system to create useful visualizations and notifications to aid patients in managing their diabetes.  ( 2 min )

Recommendation systems are dynamic economic systems that balance the needs of multiple stakeholders. A recent line of work studies incentives from the content providers' point of view. Content providers, e.g., vloggers and bloggers, contribute fresh content and rely on user engagement to create revenue and finance their operations. In this work, we propose a contextual multi-armed bandit setting to model the dependency of content providers on exposure. In our model, the system receives a user context in every round and has to select one of the arms. Every arm is a content provider who must receive a minimum number of pulls every fixed time period (e.g., a month) to remain viable in later rounds; otherwise, the arm departs and is no longer available. The system aims to maximize the users' (content consumers) welfare. To that end, it should learn which arms are vital and ensure they remain viable by subsidizing arm pulls if needed. We develop algorithms with sub-linear regret, as well as a lower bound that demonstrates that our algorithms are optimal up to logarithmic factors.  ( 2 min )

The popularity of learning from data with machine learning and neural networks has lead to the creation of many new datasets for almost every problem domain. However, even within a single domain, these datasets are often collected with disparate features, sampled from different sub-populations, and recorded at different time points. Even with the plethora of individual datasets, large data science projects can be difficult as it is often not trivial to merge these smaller datasets. Inherent challenges in some domains such as medicine also makes it very difficult to create large single source datasets or multi-source datasets with identical features. Instead of trying to merge these non-matching datasets directly, we propose a neural network architecture that can provide data augmentation using features common between these datasets. Our results show that this style of data augmentation can work for both image and tabular data.  ( 2 min )

Deep artificial neural networks show high predictive performance in many fields, but they do not afford statistical inferences and their black-box operations are too complicated for humans to comprehend. Because positing that a relationship exists is often more important than prediction in scientific experiments and research models, machine learning is far less frequently used than inferential statistics. Additionally, statistics calls for improving the test of theory by showing the magnitude of the phenomena being studied. This article extends current XAI methods and develops a model agnostic hypothesis testing framework for machine learning. First, Fisher's variable permutation algorithm is tweaked to compute an effect size measure equivalent to Cohen's f2 for OLS regression models. Second, the Mann-Kendall test of monotonicity and the Theil-Sen estimator is applied to Apley's accumulated local effect plots to specify a variable's direction of influence and statistical significance. The usefulness of this approach is demonstrated on an artificial data set and a social survey with a Python sandbox implementation.  ( 2 min )

Heterogeneous treatment effects (HTE) based on patients' genetic or clinical factors are of significant interest to precision medicine. Simultaneously modeling HTE and corresponding main effects for randomized clinical trials with high-dimensional predictive markers is challenging. Motivated by the modified covariates approach, we propose a two-stage statistical learning procedure for estimating HTE with optimal efficiency augmentation, generalizing to arbitrary interaction model and exploiting powerful extreme gradient boosting trees (XGBoost). Target estimands for HTE are defined in the scale of mean difference for quantitative outcomes, or risk ratio for binary outcomes, which are the minimizers of specialized loss functions. The first stage is to estimate the main-effect equivalency of the baseline markers on the outcome, which is then used as an augmentation term in the second stage estimation for HTE. The proposed two-stage procedure is robust to model mis-specification of main effects and improves efficiency for estimating HTE through nonparametric function estimation, e.g., XGBoost. A permutation test is proposed for global assessment of evidence for HTE. An analysis of a genetic study in Prostate Cancer Prevention Trial led by the SWOG Cancer Research Network, is conducted to showcase the properties and the utilities of the two-stage method.  ( 2 min )

In machine learning, the selection of a promising model from a potentially large number of competing models and the assessment of its generalization performance are critical tasks that need careful consideration. Typically, model selection and evaluation are strictly separated endeavors, splitting the sample at hand into a training, validation, and evaluation set, and only compute a single confidence interval for the prediction performance of the final selected model. We however propose an algorithm how to compute valid lower confidence bounds for multiple models that have been selected based on their prediction performances in the evaluation set by interpreting the selection problem as a simultaneous inference problem. We use bootstrap tilting and a maxT-type multiplicity correction. The approach is universally applicable for any combination of prediction models, any model selection strategy, and any prediction performance measure that accepts weights. We conducted various simulation experiments which show that our proposed approach yields lower confidence bounds that are at least comparably good as bounds from standard approaches, and that reliably reach the nominal coverage probability. In addition, especially when sample size is small, our proposed approach yields better performing prediction models than the default selection of only one model for evaluation does.  ( 3 min )

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.  ( 2 min )

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.  ( 2 min )

We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential $\varphi$. In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.  ( 2 min )

Spurious correlations, or correlations that change across domains where a model can be deployed, present significant challenges to real-world applications of machine learning models. However, such correlations are not always "spurious"; often, they provide valuable prior information for a prediction. Here, we present a test-time adaptation method that exploits the spurious correlation phenomenon, in contrast to recent approaches that attempt to eliminate spurious correlations through invariance. We consider situations where the prior distribution $p(y, z)$, which models the dependence between the class label $y$ and the "nuisance" factors $z$, may change across domains, but the generative model for features $p(\mathbf{x}|y, z)$ is constant. We note that this corresponds to an expanded version of the label shift assumption, where the labels now also include the nuisance factors $z$. Based on this observation, we train a classifier to predict $p(y, z|\mathbf{x})$ on the source distribution, and propose a test-time label shift correction that adapts to changes in the marginal distribution $p(y, z)$ using unlabeled samples from the target domain. We evaluate our method, which we call "Test-Time Label-Shift Adaptation" (TTLSA), on two different image datasets -- the CheXpert chest X-ray dataset and the Colored MNIST dataset -- and show a significant improvement over baseline methods. Code reproducing experiments is available at https://github.com/nalzok/test-time-label-shift .  ( 2 min )

Machine learning models have been employed to perform either physics-free data-driven or hybrid dynamical downscaling of climate data. Most of these implementations operate over relatively small downscaling factors because of the challenge of recovering fine-scale information from coarse data. This limits their compatibility with many global climate model outputs, often available between $\sim$50--100 km resolution, to scales of interest such as cloud resolving or urban scales. This study systematically examines the capability of convolutional neural networks (CNNs) to downscale surface wind speed data over land surface from different coarse resolutions (25 km, 48 km, and 100 km resolution) to 3 km. For each downscaling factor, we consider three CNN configurations that generate super-resolved predictions of fine-scale wind speed, which take between 1 to 3 input fields: coarse wind speed, fine-scale topography, and diurnal cycle. In addition to fine-scale wind speeds, probability density function parameters are generated, through which sample wind speeds can be generated accounting for the intrinsic stochasticity of wind speed. For generalizability assessment, CNN models are tested on regions with different topography and climate that are unseen during training. The evaluation of super-resolved predictions focuses on subgrid-scale variability and the recovery of extremes. Models with coarse wind and fine topography as inputs exhibit the best performance compared with other model configurations, operating across the same downscaling factor. Our diurnal cycle encoding results in lower out-of-sample generalizability compared with other input configurations.  ( 2 min )

This paper proposes a novel framework for certifying the fairness of predictive models trained on biased data. It draws from query answering for incomplete and inconsistent databases to formulate the problem of consistent range approximation (CRA) of fairness queries for a predictive model on a target population. The framework employs background knowledge of the data collection process and biased data, working with or without limited statistics about the target population, to compute a range of answers for fairness queries. Using CRA, the framework builds predictive models that are certifiably fair on the target population, regardless of the availability of external data during training. The framework's efficacy is demonstrated through evaluations on real data, showing substantial improvement over existing state-of-the-art methods.  ( 2 min )

Modern deep learning systems are increasingly deployed in situations such as personalization and federated learning where it is necessary to support i) learning on small amounts of data, and ii) communication efficient distributed training protocols. In this work, we develop FiLM Transfer (FiT) which fulfills these requirements in the image classification setting by combining ideas from transfer learning (fixed pretrained backbones and fine-tuned FiLM adapter layers) and meta-learning (automatically configured Naive Bayes classifiers and episodic training) to yield parameter efficient models with superior classification accuracy at low-shot. The resulting parameter efficiency is key for enabling few-shot learning, inexpensive model updates for personalization, and communication efficient federated learning. We experiment with FiT on a wide range of downstream datasets and show that it achieves better classification accuracy than the leading Big Transfer (BiT) algorithm at low-shot and achieves state-of-the art accuracy on the challenging VTAB-1k benchmark, with fewer than 1% of the updateable parameters. Finally, we demonstrate the parameter efficiency and superior accuracy of FiT in distributed low-shot applications including model personalization and federated learning where model update size is an important performance metric.  ( 2 min )

We consider the estimation of average treatment effects in observational studies and propose a new framework of robust causal inference with unobserved confounders. Our approach is based on distributionally robust optimization and proceeds in two steps. We first specify the maximal degree to which the distribution of unobserved potential outcomes may deviate from that of observed outcomes. We then derive sharp bounds on the average treatment effects under this assumption. Our framework encompasses the popular marginal sensitivity model as a special case, and we demonstrate how the proposed methodology can address a primary challenge of the marginal sensitivity model that it produces uninformative results when unobserved confounders substantially affect treatment and outcome. Specifically, we develop an alternative sensitivity model, called the distributional sensitivity model, under the assumption that heterogeneity of treatment effect due to unobserved variables is relatively small. Unlike the marginal sensitivity model, the distributional sensitivity model allows for potential lack of overlap and often produces informative bounds even when unobserved variables substantially affect both treatment and outcome. Finally, we show how to extend the distributional sensitivity model to difference-in-differences designs and settings with instrumental variables. Through simulation and empirical studies, we demonstrate the applicability of the proposed methodology.  ( 2 min )

Counterfactual invariance has proven an essential property for predictors that are fair, robust, and generalizable in the real world. We propose a general definition of counterfactual invariance and provide simple graphical criteria that yield a sufficient condition for a predictor to be counterfactually invariant in terms of (conditional independence in) the observational distribution. Any predictor that satisfies our criterion is provably counterfactually invariant. In order to learn such predictors, we propose a model-agnostic framework, called Counterfactual Invariance Prediction (CIP), based on a kernel-based conditional dependence measure called Hilbert-Schmidt Conditional Independence Criterion (HSCIC). Our experimental results demonstrate the effectiveness of CIP in enforcing counterfactual invariance across various types of data including tabular, high-dimensional, and real-world dataset.  ( 2 min )

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.  ( 2 min )

Data representativity is crucial when drawing inference from data through machine learning models. Scholars have increased focus on unraveling the bias and fairness in models, also in relation to inherent biases in the input data. However, limited work exists on the representativity of samples (datasets) for appropriate inference in AI systems. This paper reviews definitions and notions of a representative sample and surveys their use in scientific AI literature. We introduce three measurable concepts to help focus the notions and evaluate different data samples. Furthermore, we demonstrate that the contrast between a representative sample in the sense of coverage of the input space, versus a representative sample mimicking the distribution of the target population is of particular relevance when building AI systems. Through empirical demonstrations on US Census data, we evaluate the opposing inherent qualities of these concepts. Finally, we propose a framework of questions for creating and documenting data with data representativity in mind, as an addition to existing dataset documentation templates.  ( 2 min )

We study the relationship between two desiderata of algorithms in statistical inference and machine learning: differential privacy and robustness to adversarial data corruptions. Their conceptual similarity was first observed by Dwork and Lei (STOC 2009), who observed that private algorithms satisfy robustness, and gave a general method for converting robust algorithms to private ones. However, all general methods for transforming robust algorithms into private ones lead to suboptimal error rates. Our work gives the first black-box transformation that converts any adversarially robust algorithm into one that satisfies pure differential privacy. Moreover, we show that for any low-dimensional estimation task, applying our transformation to an optimal robust estimator results in an optimal private estimator. Thus, we conclude that for any low-dimensional task, the optimal error rate for $\varepsilon$-differentially private estimators is essentially the same as the optimal error rate for estimators that are robust to adversarially corrupting $1/\varepsilon$ training samples. We apply our transformation to obtain new optimal private estimators for several high-dimensional tasks, including Gaussian (sparse) linear regression and PCA. Finally, we present an extension of our transformation that leads to approximate differentially private algorithms whose error does not depend on the range of the output space, which is impossible under pure differential privacy.  ( 2 min )

We rigorously quantify the improvement in the sample complexity of variational divergence estimations for group-invariant distributions. In the cases of the Wasserstein-1 metric and the Lipschitz-regularized $\alpha$-divergences, the reduction of sample complexity is proportional to an ambient-dimension-dependent power of the group size. For the maximum mean discrepancy (MMD), the improvement of sample complexity is more nuanced, as it depends on not only the group size but also the choice of kernel. Numerical simulations verify our theories.  ( 2 min )

Certified defenses are a recent development in adversarial machine learning (ML), which aim to rigorously guarantee the robustness of ML models to adversarial perturbations. A large body of work studies certified defenses in computer vision, where $\ell_p$ norm-bounded evasion attacks are adopted as a tractable threat model. However, this threat model has known limitations in vision, and is not applicable to other domains -- e.g., where inputs may be discrete or subject to complex constraints. Motivated by this gap, we study certified defenses for malware detection, a domain where attacks against ML-based systems are a real and current threat. We consider static malware detection systems that operate on byte-level data. Our certified defense is based on the approach of randomized smoothing which we adapt by: (1) replacing the standard Gaussian randomization scheme with a novel deletion randomization scheme that operates on bytes or chunks of an executable; and (2) deriving a certificate that measures robustness to evasion attacks in terms of generalized edit distance. To assess the size of robustness certificates that are achievable while maintaining high accuracy, we conduct experiments on malware datasets using a popular convolutional malware detection model, MalConv. We are able to accurately classify 91% of the inputs while being certifiably robust to any adversarial perturbations of edit distance 128 bytes or less. By comparison, an existing certification of up to 128 bytes of substitutions (without insertions or deletions) achieves an accuracy of 78%. In addition, given that robustness certificates are conservative, we evaluate practical robustness to several recently published evasion attacks and, in some cases, find robustness beyond certified guarantees.  ( 2 min )

Deep learning (DL) has emerged as a promising tool to downscale climate projections at regional-to-local scales from large-scale atmospheric fields following the perfect-prognosis (PP) approach. Given their complexity, it is crucial to properly evaluate these methods, especially when applied to changing climatic conditions where the ability to extrapolate/generalise is key. In this work, we intercompare several DL models extracted from the literature for the same challenging use-case (downscaling temperature in the CORDEX North America domain) and expand standard evaluation methods building on eXplainable artifical intelligence (XAI) techniques. We show how these techniques can be used to unravel the internal behaviour of these models, providing new evaluation dimensions and aiding in their diagnostic and design. These results show the usefulness of incorporating XAI techniques into statistical downscaling evaluation frameworks, especially when working with large regions and/or under climate change conditions.  ( 2 min )

Network anomaly detection is a very relevant research area nowadays, especially due to its multiple applications in the field of network security. The boost of new models based on variational autoencoders and generative adversarial networks has motivated a reevaluation of traditional techniques for anomaly detection. It is, however, essential to be able to understand these new models from the perspective of the experience attained from years of evaluating network security data for anomaly detection. In this paper, we revisit anomaly detection techniques based on PCA from a probabilistic generative model point of view, and contribute a mathematical model that relates them. Specifically, we start with the probabilistic PCA model and explain its connection to the Multivariate Statistical Network Monitoring (MSNM) framework. MSNM was recently successfully proposed as a means of incorporating industrial process anomaly detection experience into the field of networking. We have evaluated the mathematical model using two different datasets. The first, a synthetic dataset created to better understand the analysis proposed, and the second, UGR'16, is a specifically designed real-traffic dataset for network security anomaly detection. We have drawn conclusions that we consider to be useful when applying generative models to network security detection.  ( 2 min )

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g. a neural network) by fitting the model's residuals with a $k$-nearest neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels. Empirically, we show that ResMem consistently improves the test set generalization of the original prediction model across various standard vision and natural language processing benchmarks. Theoretically, we formulate a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over the base predictor.  ( 2 min )

In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.  ( 2 min )

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).  ( 2 min )

To identify patients who are hospitalized because of COVID-19 as opposed to those who were admitted for other indications, we compared the performance of different computable phenotype definitions for COVID-19 hospitalizations that use different types of data from the electronic health records (EHR), including structured EHR data elements, provider notes, or a combination of both data types. And conduct a retrospective data analysis utilizing chart review-based validation. Participants are 586 hospitalized individuals who tested positive for SARS-CoV-2 during January 2022. We used natural language processing to incorporate data from provider notes and LASSO regression and Random Forests to fit classification algorithms that incorporated structured EHR data elements, provider notes, or a combination of structured data and provider notes. Results: Based on a chart review, 38% of 586 patients were determined to be hospitalized for reasons other than COVID-19 despite having tested positive for SARS-CoV-2. A classification algorithm that used provider notes had significantly better discrimination than one that used structured EHR data elements (AUROC: 0.894 vs 0.841, p < 0.001), and performed similarly to a model that combined provider notes with structured data elements (AUROC: 0.894 vs 0.893). Assessments of hospital outcome metrics significantly differed based on whether the population included all hospitalized patients who tested positive for SARS-CoV-2 versus those who were determined to have been hospitalized due to COVID-19. This work demonstrates the utility of natural language processing approaches to derive information related to patient hospitalizations in cases where there may be multiple conditions that could serve as the primary indication for hospitalization.  ( 3 min )

This paper introduces a novel residual correlation analysis, called AZ-analysis, to assess the optimality of spatio-temporal predictive models. The proposed AZ-analysis constitutes a valuable asset for discovering and highlighting those space-time regions where the model can be improved with respect to performance. The AZ-analysis operates under very mild assumptions and is based on a spatio-temporal graph that encodes serial and functional dependencies in the data; asymptotically distribution-free summary statistics identify existing residual correlation in space and time regions, hence localizing time frames and/or communities of sensors, where the predictor can be improved.  ( 2 min )

One of the most critical problems in machine learning is HyperParameter Optimization (HPO), since choice of hyperparameters has a significant impact on final model performance. Although there are many HPO algorithms, they either have no theoretical guarantees or require strong assumptions. To this end, we introduce BLiE -- a Lipschitz-bandit-based algorithm for HPO that only assumes Lipschitz continuity of the objective function. BLiE exploits the landscape of the objective function to adaptively search over the hyperparameter space. Theoretically, we show that $(i)$ BLiE finds an $\epsilon$-optimal hyperparameter with $O \left( \frac{1}{\epsilon} \right)^{d_z + \beta}$ total budgets, where $d_z$ and $\beta$ are problem intrinsic; $(ii)$ BLiE is highly parallelizable. Empirically, we demonstrate that BLiE outperforms the state-of-the-art HPO algorithms on benchmark tasks. We also apply BLiE to search for noise schedule of diffusion models. Comparison with the default schedule shows that BLiE schedule greatly improves the sampling speed.  ( 2 min )

We analyze a practical algorithm for sparse PCA on incomplete and noisy data under a general non-random sampling scheme. The algorithm is based on a semidefinite relaxation of the $\ell_1$-regularized PCA problem. We provide theoretical justification that under certain conditions, we can recover the support of the sparse leading eigenvector with high probability by obtaining a unique solution. The conditions involve the spectral gap between the largest and second-largest eigenvalues of the true data matrix, the magnitude of the noise, and the structural properties of the observed entries. The concepts of algebraic connectivity and irregularity are used to describe the structural properties of the observed entries. We empirically justify our theorem with synthetic and real data analysis. We also show that our algorithm outperforms several other sparse PCA approaches especially when the observed entries have good structural properties. As a by-product of our analysis, we provide two theorems to handle a deterministic sampling scheme, which can be applied to other matrix-related problems.  ( 2 min )

This is the second part of our series works on failure-informed adaptive sampling for physic-informed neural networks (FI-PINNs). In our previous work \cite{gao2022failure}, we have presented an adaptive sampling framework by using the failure probability as the posterior error indicator, where the truncated Gaussian model has been adopted for estimating the indicator. In this work, we present two novel extensions to FI-PINNs. The first extension consist in combining with a re-sampling technique, so that the new algorithm can maintain a constant training size. This is achieved through a cosine-annealing, which gradually transforms the sampling of collocation points from uniform to adaptive via training progress. The second extension is to present the subset simulation algorithm as the posterior model (instead of the truncated Gaussian model) for estimating the error indicator, which can more effectively estimate the failure probability and generate new effective training points in the failure region. We investigate the performance of the new approach using several challenging problems, and numerical experiments demonstrate a significant improvement over the original algorithm.  ( 2 min )

Modern deep learning requires large volumes of data, which could contain sensitive or private information which cannot be leaked. Recent work has shown for homogeneous neural networks a large portion of this training data could be reconstructed with only access to the trained network parameters. While the attack was shown to work empirically, there exists little formal understanding of its effectiveness regime, and ways to defend against it. In this work, we first build a stronger version of the dataset reconstruction attack and show how it can provably recover its entire training set in the infinite width regime. We then empirically study the characteristics of this attack on two-layer networks and reveal that its success heavily depends on deviations from the frozen infinite-width Neural Tangent Kernel limit. More importantly, we formally show for the first time that dataset reconstruction attacks are a variation of dataset distillation. This key theoretical result on the unification of dataset reconstruction and distillation not only sheds more light on the characteristics of the attack but enables us to design defense mechanisms against them via distillation algorithms.  ( 2 min )

The top-k operator returns a k-sparse vector, where the non-zero values correspond to the k largest values of the input. Unfortunately, because it is a discontinuous function, it is difficult to incorporate in neural networks trained end-to-end with backpropagation. Recent works have considered differentiable relaxations, based either on regularization or perturbation techniques. However, to date, no approach is fully differentiable and sparse. In this paper, we propose new differentiable and sparse top-k operators. We view the top-k operator as a linear program over the permutahedron, the convex hull of permutations. We then introduce a p-norm regularization term to smooth out the operator, and show that its computation can be reduced to isotonic optimization. Our framework is significantly more general than the existing one and allows for example to express top-k operators that select values in magnitude. On the algorithmic side, in addition to pool adjacent violator (PAV) algorithms, we propose a new GPU/TPU-friendly Dykstra algorithm to solve isotonic optimization problems. We successfully use our operators to prune weights in neural networks, to fine-tune vision transformers, and as a router in sparse mixture of experts.  ( 2 min )

Heterogeneous treatment effects (HTE) based on patients' genetic or clinical factors are of significant interest to precision medicine. Simultaneously modeling HTE and corresponding main effects for randomized clinical trials with high-dimensional predictive markers is challenging. Motivated by the modified covariates approach, we propose a two-stage statistical learning procedure for estimating HTE with optimal efficiency augmentation, generalizing to arbitrary interaction model and exploiting powerful extreme gradient boosting trees (XGBoost). Target estimands for HTE are defined in the scale of mean difference for quantitative outcomes, or risk ratio for binary outcomes, which are the minimizers of specialized loss functions. The first stage is to estimate the main-effect equivalency of the baseline markers on the outcome, which is then used as an augmentation term in the second stage estimation for HTE. The proposed two-stage procedure is robust to model mis-specification of main effects and improves efficiency for estimating HTE through nonparametric function estimation, e.g., XGBoost. A permutation test is proposed for global assessment of evidence for HTE. An analysis of a genetic study in Prostate Cancer Prevention Trial led by the SWOG Cancer Research Network, is conducted to showcase the properties and the utilities of the two-stage method.  ( 2 min )

Deep artificial neural networks show high predictive performance in many fields, but they do not afford statistical inferences and their black-box operations are too complicated for humans to comprehend. Because positing that a relationship exists is often more important than prediction in scientific experiments and research models, machine learning is far less frequently used than inferential statistics. Additionally, statistics calls for improving the test of theory by showing the magnitude of the phenomena being studied. This article extends current XAI methods and develops a model agnostic hypothesis testing framework for machine learning. First, Fisher's variable permutation algorithm is tweaked to compute an effect size measure equivalent to Cohen's f2 for OLS regression models. Second, the Mann-Kendall test of monotonicity and the Theil-Sen estimator is applied to Apley's accumulated local effect plots to specify a variable's direction of influence and statistical significance. The usefulness of this approach is demonstrated on an artificial data set and a social survey with a Python sandbox implementation.  ( 2 min )

I went through the entire blog post from Google and pulled out some quotes and highlights: ​ 1) “we re-oriented the company around AI six years ago” Right off the bat, “Pich-AI” lets it be known that Google is now an AI company. Partially true? Yes, of course. Would that phrase be coming out of his mouth at this point if not for the release and success of ChatGPT? No. 2) their mission: “organize the world’s information and make it universally accessible and useful” There’s a book called The Innovator’s Dilemma: When New Technologies Cause Great Firms to Fail. I'm certainly not here to say that Google is going to fail, but the re-stating of the mission makes it clear that they view AI (and Bard) as a way to improve, supplement, and perhaps protect their search business. This is …  ( 45 min )

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Hey! Since first posting here we've got 800+ users taking almost 1,000 courses! In short, this is how the bot works: 1️⃣ Send the captain a topic - usually, one or a few words is enough 2️⃣ Get a mini-course divided into 5 chapters 3️⃣ Receive your content packed into a beautiful magazine-style sharable link Would love to know what you think! http://edwardbot.com/ submitted by /u/Itaydr [link] [comments]  ( 41 min )

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I'll just try and add some detail in case the title doesn't make sense for some. The two major options I see: You believe consciousness arises from a very complicated system of biology > cells > molecules > atoms > elements. Ultimately a mechanistic view that, metaphorically, life is complicated machinery. If not the former, then it seems the only other major option is that life is somehow endowed some supernatural or divine force that humans could never synthetically replicate. This is of course generally considered a spiritual/religious belief. So if you believe in item 1, doesn't this mean you pretty much have to believe that AI is or can have consciousness? submitted by /u/sidianmsjones [link] [comments]  ( 44 min )

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AI Seinfeld Transphobic rant - YouTube submitted by /u/Status_Signal_4083 [link] [comments]  ( 42 min )

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​ Characters as shown on https://chatfai.com/characters/ Hi everyone! I have recently made some exciting changes to my ChatFAI web app. The public characters library is now live - it's now easy to share and install public characters. Added a regenerate reply option. Created a new plan without any daily limit. I have gotten a lot of help and support from this community. The feedback and support from you all are really helpful and that is how I am improving ChatFAI (based on the feedback and suggestions). So, here I am again. What do you think about the latest updates? Is it going in the right direction? Another challenge I have not resolved yet is finding B2B use cases for ChatFAI. Thank you for your help and support - it's greatly appreciated! submitted by /u/usamaejazch [link] [comments]  ( 42 min )

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Hi, I'm relatively new to the field of RL but with strong experience in DL, I'm currently studying the Sutton & Barto book, and more specifically TD(0) method. At some point the discuss a "windy" gridworld example, in that we have the normal gridworld setup, but there is an upward wind on some tiles that may move the agent upwards as many squares as indicated in the bottom of each column. Here is a schematic of the setup: Windy Gridworld example from Sutton Barto book If you perform an action that would lead to the agent falling of the grid, the agent remains at the state it was. E.G. if the agent is in the top-left square and performs the action `up`, they will remain at the top-left square. They essentially use this to present SARSA, but then they mention the following for MC methods: Note that Monte Carlo methods cannot easily be used here because termination is not guaranteed for all policies. If a policy was ever found that caused the agent to stay in the same state, then the next episode would never end. This strikes me quite as odd. Does this mean that I cannot (or that it's not safe to) use MC methods in any problem where it's possible to do a transition from a state that will result in the agent remaining in the same state? The first thing that comes to mind is the normal gridworld example (i.e. w/out any wind), does this restriction that they mention here mean that MC is not safe to use? submitted by /u/dep0 [link] [comments]  ( 42 min )

Hello everyone. I am considering making a reinforcement learning library for the most recent version of League of Legends based on discussions on an existing library here. Would there be any interest in an RL library for League of Legends? The interface would work like the following: ```python import tlol.gym as leaguegym env = leaguegym.make() while True: obs = env.reset() done = False while not done: #Here we sample a random action. If you have an agent, you would get an action from it here. action = env.action_space.sample() next_obs, reward, done, gameinfo = env.step(action) obs = next_obs ``` If you look at my previous posts, I have already created an RL environment for League of Legends v4.20 where other people have also taken the project and successfully trained agents which learn adversarially against each other here. I've also released many gameplay datasets for League of Legends during Season 12 here also for supervised learning and RL. At the moment tlol-py contains an interface for ML models to play League of Legends but I'm considering creating a purpose built library for RL for League of Legends. Would there be interest in a project like this? submitted by /u/Ok-Alps-7918 [link] [comments]  ( 42 min )

Hi all, assuming the task is opening the door with a robot, as far as I understand the sim2real problem happens as the robot behaves differently in the real world as the physics in the simulator (where the agent is trained) are not 100% identical in the real world. From my understanding the sim2real problem occurs if we let the agent also handle this controller part. But why cant we just extract the trajectory of the manipulator that the agent generates to open the door and executes it with the controller from the real world? Am I missing something here? submitted by /u/Fun-Moose-3841 [link] [comments]  ( 43 min )

Is it possible that, in a multi-agent environment, the return values for reward, terminated, and truncated of a .step(actions) method call have different values for each agent? If so, is there an example environment? submitted by /u/Toni-SM [link] [comments]  ( 41 min )

So, after months of learning about RL and doing toy implentations, I have coded a DQN, with experience buffer and dual nets. The network design is like the most average thing you can come across in ML scene. A simple deep feed forward with Relu and Linear as activation functions. I have also coded a simplified version of the Forex market for my agent to train in. It has bid ask prices, leverage, call margin, and buy/sell/not-in-the-market positions. The whole given state to the model is nothing fancy. It is merely the historical, model's balance and a few binary indictors about the environment. Since I'm cripplingly poor, I don't have any specialized hardware for training the model. After burning like 100 hours into the free version of Google collab with three different learning rates I…  ( 46 min )

I have made a Stack Overflow post here. I will highly appreciate all your help on this. Thank you! submitted by /u/Academic-Rent7800 [link] [comments]  ( 42 min )

I have seen some blog posts and papers about using RL for financial trading. I have to be hones, I didn't read that stuff in details. However the main idea seems kind of clear: you can model the market as a MDP where the state space encodes the relevant features of the market and your current portfolio, the possible actions are what/how much to sell/buy and the reward function should express the value change of your portfolio. However I am a bit puzzled. Clearly your actions as a trader do not really affect the market that much meaning that the transition function (probability distribution for the next state) does not depend on your action (excluding the changes in your portfolio). Why would RL provide any advantages over more classical approaches? I might miss something, but maybe formalizing the trading problem as a (contextual) multi-armed bandit seems more reasonable to me. submitted by /u/AdministrativeBank48 [link] [comments]  ( 48 min )

Hello everyone. I am considering making a reinforcement learning library for the most recent version of League of Legends based on discussions on an existing library here. Would there be any interest in an RL library for League of Legends? The interface would work like the following: ```python import tlol.gym as leaguegym env = leaguegym.make() while True: obs = env.reset() done = False while not done: #Here we sample a random action. If you have an agent, you would get an action from it here. action = env.action_space.sample() next_obs, reward, done, gameinfo = env.step(action) obs = next_obs ``` If you look at my previous posts, I have already created an RL environment for League of Legends v4.20 where other people have also taken the project and successfully trained agents which learn adversarially against each other here. I've also released many gameplay datasets for League of Legends during Season 12 here also for supervised learning and RL. At the moment tlol-py contains an interface for ML models to play League of Legends but I'm considering creating a purpose built library for RL for League of Legends. Would there be interest in a project like this? submitted by /u/Ok-Alps-7918 [link] [comments]  ( 43 min )

Hi, I'm working on a project, where we're to classify a user into High or Low Income. The dataset contains 9000+ features and the number of observations/rows are, 30000 representing household. The features include the media consumption habits of people. Hourly, Weekly, Monthly and Yearly for different TV channels. So far I have tried SVC, Random Forest and Logistic Regression. I used an ensemble of these three. However, I haven't been able to get past 63% accuracy. I tried PCA, however, the results range b/w 61-63% accuracy, recall and precision. I do wanna add that the data is already scaled between 0-1 and most of the columns are sparse (0 values for many rows). Honestly, I have tried pretty much everything, but can't seem to raise the evaluation metrics. Can someone direct me to the right path on what I can do to improve the scores? submitted by /u/Toko_yami [link] [comments]  ( 43 min )

So, after months of learning about RL and doing toy implentations, I have coded a DQN, with experience buffer and dual nets. The network design is like the most average thing you can come across in ML scene. A simple deep feed forward with Relu and Linear as activation functions. I have also coded a simplified version of the Forex market for my agent to train in. It has bid ask prices, leverage, call margin, and buy/sell/not-in-the-market positions. The whole given state to the model is nothing fancy. It is merely the historical, model's balance and a few binary indictors about the environment. Since I'm cripplingly poor, I don't have any specialized hardware for training the model. After burning like 100 hours into the free version of Google collab with three different learning rates I…  ( 45 min )

It took me about 46 hours to run this on my 3080 at home. The original files was from the Blu-ray release that was unfortunately pretty poorly done in my opinion. This version really gives it new life I think. Here's a link to the video result to see for yourself: https://vimeo.com/796411232 And a link to the model I used! https://github.com/TencentARC/AnimeSR submitted by /u/VR_Angel [link] [comments]  ( 43 min )

I have had minimal luck finding documentation on creating or using a premade string generator. It can't be a text generator really... because I am building it for translation from one language to another. I want to teach the generator to produce guesses on what the best translation for a single word would be based on underlying language semantics. I don't need it to be accurate necessarily, just a point-of-reference for observing language and phonetic mechanics. submitted by /u/lullaby876 [link] [comments]  ( 42 min )

I have a problem that if I solve it with ML, I'll make money, with an outside chance of it being a lot of money. Compiling a dataset will take significant work. Are there any techniques that I can apply to let me know if this is going to be worth it? Perhaps there are certain hallmarks that a problem would have if it is likely to be solvable with available data? Maybe something I can do with a small initial dataset? Thanks. submitted by /u/SnuggleWuggleSleep [link] [comments]  ( 43 min )

https://blog.google/technology/ai/bard-google-ai-search-updates/ submitted by /u/EducationalCicada [link] [comments]  ( 50 min )

From the article: Getty Images has filed a lawsuit in the US against Stability AI, creators of open-source AI art generator Stable Diffusion, escalating its legal battle against the firm. The stock photography company is accusing Stability AI of “brazen infringement of Getty Images’ intellectual property on a staggering scale.” It claims that Stability AI copied more than 12 million images from its database “without permission ... or compensation ... as part of its efforts to build a competing business,” and that the startup has infringed on both the company’s copyright and trademark protections. This is different from the UK-based news from weeks ago. submitted by /u/Wiskkey [link] [comments]  ( 44 min )

Physical world we live in has 4 dimensions, string theory posits like up to 10. It seems like in order to successfully model the abstract space of ideas which relates things in the physical world to each other and describes them, machine learning needs thousands of dimensions. Also to the extent that ML algos/matrices can be made sparse, that seems to me to tell us something about the density of the mapping between abstract space and physical space... anyone know any papers w/this line of thinking? It also seems a bit unintuitive to me because it seems like geometrically space gets exponentially more complicated as you add dimensions but ML scales linearly or better in many cases with matrix dimensionality. submitted by /u/Frumpagumpus [link] [comments]  ( 44 min )

Hi all! For the longest time, I was having issues understanding how to use time series to do forecasting. Over the last few weeks, I have been writing a series of posts to guide anyone through the process! I am also in the process of writing a detailed practical guide with step-by-step instructions. ​ Right now I have 6 articles on the topic: * Introduction to ARIMA models (https://mlpills.dev/time-series/introduction-to-arima-models/) * Parameters selection in ARIMA models (https://mlpills.dev/time-series/parameters-selection-in-arima-models/) * Seasonal ARIMA (https://mlpills.dev/time-series/seasonal-arima/) * ARCH / GARCH models for Time Series (https://mlpills.dev/time-series/arch-garch-models-for-time-series/) * ARIMA-GARCH models (https://mlpills.dev/time-series/arima-garch-models/) * And today's -> Forecasting in Time Series (https://mlpills.dev/time-series/forecasting-in-time-series/) Let me know if there are any topics that you would like me to cover in the future! submitted by /u/daansan-ml [link] [comments]  ( 43 min )

Machine LearningModels when deployed in the production environment, model degradation can arise where their output will change if the relationship between the incoming serving data and the predicted target drifts apart. Please can someone briefly elaborate on what strategies, frameworks and application tools can be implemented to automatically monitor the health of the model and alert the Data Scientist of any decay in data quality, data drift, and model quality? submitted by /u/astronaut1971 [link] [comments]  ( 42 min )

I made an image captioning and clustering tools for computer vision and diffusion projects. You can run almost everything automatically and with a simple CLI command. All contributions are welcome. https://github.com/cobanov/image-clustering https://github.com/cobanov/image-captioning submitted by /u/metover [link] [comments]  ( 42 min )

I haven’t been able to find research on deep learning using high-speed cameras that capture images at frame rates higher than 250fps. I wonder if they are rather useless for image/video processing or do any of you have any ideas about potential applications. submitted by /u/A15L [link] [comments]  ( 44 min )

Deep connections discovered between Graph Diffusion Networks and Partial Differential Equations modelling heat transfer. https://towardsdatascience.com/graph-neural-networks-as-neural-diffusion-pdes-8571b8c0c774 https://arxiv.org/abs/2106.10934 Strange connections uncovered between GNNs and Structural Causal Models. https://arxiv.org/abs/2109.04173 https://www.youtube.com/watch?v=XC-Bfg3dO0I GNNs used to enhance the factualness of LLMs by providing embeddings from Knowledge Graphs (KEs). https://direct.mit.edu/tacl/article/doi/10.1162/tacl_a_00360/98089 GNNs used to categorize objects from only their 3D mesh. https://arxiv.org/pdf/2106.15778.pdf Prediction of intuitive physics among physical objects. https://proceedings.neurips.cc/paper/2016/hash/3147da8ab4a0437c15ef51a5cc7f2dc4-Abstract.html Zero-shot generalization in robot Task Planning. https://arxiv.org/abs/2102.13177 https://www.youtube.com/watch?v=POxaTDAj7aY submitted by /u/moschles [link] [comments]  ( 42 min )

Paper : https://arxiv.org/abs/2302.01339 Abstract : Can large language models be trained to produce philosophical texts that are difficult to distinguish from texts produced by human philosophers? To address this question, we fine-tuned OpenAI's GPT-3 with the works of philosopher Daniel C. Dennett as additional training data. To explore the Dennett model, we asked the real Dennett ten philosophical questions and then posed the same questions to the language model, collecting four responses for each question without cherry-picking. We recruited 425 participants to distinguish Dennett's answer from the four machine-generated answers. Experts on Dennett's work (N = 25) succeeded 51% of the time, above the chance rate of 20% but short of our hypothesized rate of 80% correct. For two of the ten questions, the language model produced at least one answer that experts selected more frequently than Dennett's own answer. Philosophy blog readers (N = 302) performed similarly to the experts, while ordinary research participants (N = 98) were near chance distinguishing GPT-3's responses from those of an "actual human philosopher". submitted by /u/starstruckmon [link] [comments]  ( 44 min )

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Hello what's the state of modern RNNs, why does S4 not use nonlinearity on the state vector? What happened to unitary RNN or independent RNN (which sounds like exponential moving average)? submitted by /u/windoze [link] [comments]  ( 42 min )

A new tool brings the benefits of AI programming to a much broader class of problems.  ( 8 min )

This blog post is co-written with Bruno Mateus, Jonathan Diedrich and Crispim Tribuna at Talkdesk. Contact centers are using artificial intelligence (AI) and natural language processing (NLP) technologies to build a personalized customer experience and deliver effective self-service support through conversational bots. This is the first of a two-part series dedicated to the integration of […]  ( 8 min )

Researchers continue to develop new model architectures for common machine learning (ML) tasks. One such task is image classification, where images are accepted as input and the model attempts to classify the image as a whole with object label outputs. With many models available today that perform this image classification task, an ML practitioner may […]  ( 11 min )

I wrote my first neural network implementation following a tutorial. I was amazed that it was less than 140 lines of code. A thought occurred to me and I brought it to chatgpt first, but I'd like some human input from people who know better. I'm wondering what the pros and cons would be for having a network where the hidden layer chooses an activation function when it is initialized that may be different per node. Chatgpt was polite in its responses but it seems very clear that this is a bad idea for most common goals with a neural network. I'm making little creatures that just kind of exist, adding more inputs and outputs as I think of them. So I wondered recently \1. Would there be any benefit from 1 node using a sigmoid and another node using relu? \2. I know it would really screw up the network, but what would happen if I also had a small chance for the activation function to change in a node when creating the next generation? It's baby's first simulation where the best nodes survive to make a new generation. Since I'm using a sort of evolution model I'm not worried about "bad" training results or overly complicated brains, the 2 points chatgpt kept stressing no matter how I asked it. Does anyone have some thoughts they can share on this? It's possible that the question is hard to answer because it's so stupid / pointless for what a neural network would be used for. I get that impression from stack overflow answers to similar questions, hah. I don't have a goal, I just want to watch the little critters exist and struggle. submitted by /u/Tomnnn [link] [comments]  ( 44 min )

Hi. I don’t know if it is a good place to ask this question but i have to make a project for my uni and i am a bit confused. The topic is „creating fake avatar”. I need to create a fake person based on other people images and make it „alive”. By alive I mean that i can create many pictures of this person in different situations. I know i need to use GAN but I just can’t get my head around on how to do it. I mean. First i need a neural network to create a fake person. But how to use this fake person to create different scenarios? Thank you for any help in advance. submitted by /u/Acrobatic_Ad6507 [link] [comments]  ( 42 min )

“I’ll tell you the problem with the scientific power that you’re using here: it didn’t require any discipline to attain it. You read what others had done and you took the next step. You didn’t earn the knowledge for yourselves, so you don’t take any responsibility for it. You stood on the shoulders of geniuses… Read More »It’s No Big Deal, but ChatGPT Changes Everything – Part III The post It’s No Big Deal, but ChatGPT Changes Everything – Part III appeared first on Data Science Central.  ( 24 min )

Flutter is a free, open-source mobile user interface (UI) framework that Google developed in 2017. It allows users to create native mobile applications using a single codebase. Using a single codebase and one programming language, users can develop apps for two different platforms, Android and iOS. It’s considered the most effective cross-platform framework available. Flutter… Read More »Guide to Best Flutter State Management Libraries for 2023 The post Guide to Best Flutter State Management Libraries for 2023 appeared first on Data Science Central.  ( 21 min )

Just a few days ago, January 28, we celebrated Data Protection Day, an international event aimed at promoting data privacy and security. In line with the goal of raising awareness about data protection, it would be a good time to discuss data security with Realtime Operating System. This unconventional operating system is widely used, so… Read More »Ensuring Data Security in Realtime Operating System (RTOS) Devices The post Ensuring Data Security in Realtime Operating System (RTOS) Devices appeared first on Data Science Central.  ( 21 min )

A University of Toronto undergrad among an international team of researchers unleashing deep learning in the search for extraterrestrial civilizations.  ( 6 min )

Is there a good overview of the state of chatbot research? I'm wondering if the ChatGPT approach of big LLM + RLHF is now considered the only way forward? How about alternatives like BlenderBot3? And what are the best open source chatbots right now? Or if you can't create your own ChatGPT, how does using a GPT3 sized model + prompt engineering compare to smaller models with supervised fine tuning on a conversation dataset? submitted by /u/renbid [link] [comments]  ( 42 min )

I wanted to discuss the possibilities to use LLM in generating answer based on the context and resolving conflict. Some recent work leveraging LLM in robotics planning, like Language Models as Zero-Shot Planner use LLM to generate plans for robot. What are your views in terms of LLM which leverage the background knowledge and visual clues together to generate correct next action by robots or embodied systems. As a human we decide actions based on resolving priority or conflict based on rules/ concepts , can LLM takes these rules /concept explicitly in decision making to generate new set of actions? Example: while chopping the veggies by robots, if hand comes in between then robot will stop the chopping process of veggies. As chopping task and human hand presence are in conflict and humans hand safety is of higher priority than cutting. How such small-small kind of knowledge be encoded in these robotics system which makes them more safer and trustworthy in general. As LLM requires larges corpus of knowledge/data. submitted by /u/projekt_treadstone [link] [comments]  ( 43 min )

I find it odd that I have to regenerate this from my input set each time. It should be something we can just start with pre-created. submitted by /u/MrOfficialCandy [link] [comments]  ( 42 min )

While the greatest amount of training content is available for English at the moment, it seems unlikely to me that it's an efficient language to train AI. A more optimal language would reduce training time and model size. It might, for example, be much more efficient to train AI on Chinese, Korean, or Japanese due to a reduce grammatical token-set when constructing sentences/ideas. But taking the idea further, I wonder if we should be using a human language at all. Perhaps it's more efficient to use something altogether new in order to both communicate with AI more exactingly and also to reduce model size/training. What do y'all think? submitted by /u/MrOfficialCandy [link] [comments]  ( 44 min )

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Hi all! Some time ago I made a post about NeuralFit (https://github.com/neural-fit/neuralfit), which allows you to evolve neural networks in 🐍 Python with just a few lines of code. Good news: it is now possible to evolve recurrent models on timeseries, which is useful for doing stock market predictions for example 📈. There is currently a simple example, but more examples will be added soon! In addition: the free limitations have been increased, so you can use NeuralFit for most hobby projects without needing a license. Just like last time, feedback is immensely appreciated! submitted by /u/wagenaartje [link] [comments]  ( 43 min )

Been struggling to find sources relating to this, it’s mostly just tech websites or blogs I keep coming across. I’m struggling to find any academic papers arguing for specifically the use of user data to create targeted ads. submitted by /u/lara_lara24 [link] [comments]  ( 43 min )

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How much do research labs or research jobs in ML hire statisticians vs computer scientists or mathematicians? submitted by /u/AdFew4357 [link] [comments]  ( 44 min )

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Hello! I'm trying to understand what available LLMs one can "relatively easily" play with. My goal is to understand the landscape since I haven't worked in this field before. I'm trying to run them "from the largest to the smallest". By "relatively easy", I mean doesn't require to setup a GPU cluster or costs more than $20:) Here are some examples I have found so far: ChatGPT (obviously) - 175B params OpenAI api to access GPT-3s (from ada (0.5B) to davinci (175B)). Also CodeX Bloom (176B) - text window on that page seems to work reliably, you just need to keep pressing "generate" OPT-175B (Facebook LLM), the hosting works surprisingly fast, but slower than ChatGPT Several models on HuggingFace that I made to run with Colab Pro subscription: GPT-NeoX 20B, Flan-t5-xxl 11B, Xlm-roberta-xxl 10.7B, GPT-j 6B. I spent about $20 total on running the models below. None of the Hugging face API interfaces/spaces didn't work for me :(. Here is an example notebook I made for NeoX. Does anyone know more models that are easily accessible? P.S. Some large models I couldn't figure out (yet) how to run easily: Galactica-120b 120B Opt-30b 30B submitted by /u/sinavski [link] [comments]  ( 44 min )

Tweet thread: https://twitter.com/WholeMarsBlog/status/1622139178439036928 First impressions: this sucks ass I can only ask about dogs and a few different types of prompts Does anyone else have experiences to share with this nerfed LaMDA beta google released? submitted by /u/That_Violinist_18 [link] [comments]  ( 44 min )

Im trying to build and train a Machine Learning model that autonomously performs color matching between the target gemstone and the Reference Standard color chart. A digital photo image of the target gemstone is first captured in a controlled environment in terms of illumination and background. This digital image is further pre-processed and fed into an algorithm that recognizes and match its color distribution to the closest color in the Reference Standard color chart. Numerous Reference Standards exist but I will use the ColorCODEX (this link ColorCODEX) So I would like to know which Machine Learning Model to use in this case to ensure high matching accuracy and like what performance metric can I use to measure matching accuracy and the color space for the color model. And at the end what image pre-processing needs to be done? I found this article (https://www.atlantis-press.com/proceedings/icosat-17/25895985)with backpropagation NN but not sure if it the best choice. Any other option? submitted by /u/astronaut1971 [link] [comments]  ( 44 min )

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[D] Hey, It's kind of a simple one but just putting it out for opinions: when passing a graph through graph neural networks to obtain vectors for all the nodes. Is the info in the node required because all we care is about the position of certain node in context to the whole graph and that's how gnn outputs the vectors of each node. Sorry if that was messy. submitted by /u/ab_11nav [link] [comments]  ( 42 min )

https://youtu.be/ktdUeqzzhiA what text to speech does he use? he's been popping up on my yt feed lately and i can see he has different voices in his videos and most of them sound robotic, what do you think it's being used here? submitted by /u/candidhorse4 [link] [comments]  ( 42 min )

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Hey all! For an art installation I want to be able to generate war news in specific countries and have a specific word used in it. For instance, a 2-3 sentence news about the war in Yemen with the word "love" in it. Any AI platforms you can suggest? submitted by /u/jarjar_bigh [link] [comments]  ( 41 min )

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https://voice.ai/r/AfpKl. This web can create very good quality AI voices. They have majorly famous people voices. For using this voices you only need to write something and then the AI will say it with the voice you choose. submitted by /u/Marcosio9083 [link] [comments]  ( 41 min )

There have been already some ai developers teamed up with big firms to create AI for virtual clothing try-on even few years ago, but considering lastest models can generate images of very realistic human (including garments on them) from nothing I suppose there must be practical ones that can generate better quality try-on image given a series of photos of a model and clothes to put on. Do you know any such models? submitted by /u/PMATHbreaker [link] [comments]  ( 41 min )

Imagine a type of user that is a senior manager, they do not have an analysis background. What i'd like is for them to be able to tell a dashboard "what happened to our customer reviews last week?" and a text summary is generated and parameters to charts sent out, and charts generated I'm exploring the aspect of cost here I read Azure's OpenAI marketing and see: > Azure OpenAI Service is enabling customers across industries from health care to financial services to manufacturing to quickly perform an array of tasks. Innovations include generating unique content for customers, summarizing and classifying customer feedback, and extracting text from medical records to streamline billing. The most common uses have been writing assistance, translating natural language to code and gaining data insights through search, entity extraction, sentiment and classification. Great But the pricing looks expensive for Base Series Fine-tuned, Curie: > Inferencing per 1,000 tokens | $0.002 > Hosting per hour | $0.24 and so i'd need to think about some caching intermediary stage to prevent too many calls to the Azure OpenAI API So is using Azure here for an ai based solution cost effective for a small business? submitted by /u/Work_Owl [link] [comments]  ( 42 min )

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Starting a career in AI Hello folks, I’m a Product Manager with 10 years of experience in B2C mobile apps. I love mobile apps and I’m really passionate about user experience. However, I lately started using various AI products and I’m really impressed. Since I believe it the future I was thinking if it’s possible to start learning the basics and even make a career change in AI development (as soon as I learn what fields exist). I have studied computer science and I’m familiar with software development. Any idea/recommendations where to start from and what a possible career path would be? Thanks submitted by /u/EquivalentMongoose95 [link] [comments]  ( 42 min )

How can we move from an idea to production in AI? Does the technology readiness levels (TRL) help? If you want to get some answers please read this article in medium: https://medium.com/towards-artificial-intelligence/technology-readiness-levels-trl-in-ai-development-c6ed1190fbd6 All the ideas are more than welcome! submitted by /u/Nice-Tomorrow2926 [link] [comments]  ( 40 min )

I am looking for a free voice cloning app or website (Like elevenlabs, but I would need a quota bypass for that) and I can't find any. Any suggestions? submitted by /u/1sydxyz [link] [comments]  ( 40 min )

I am searching for an image and I need to find where the image comes from and it can be anywhere on the web or as a part of video as whole so is there an AI you can give a name , the said picture, photo, sentence or a specific data to find the exact photo in a random youtube video, the same name on some old site or inclusion of A photo I have on another site where it may have originated. An Ai that will scan the entire youtube , watch every vid and then list all the instances where the image was used. submitted by /u/Plajomzn [link] [comments]  ( 42 min )

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Hi guys, I have made a video on YouTube here where I explain why underfitting and overfitting happen in machine learning models by looking at the fundamental theory behind bias variance trade-off. I hope it may be of use to some of you out there. As always, feedback is more than welcomed! :) submitted by /u/Personal-Trainer-541 [link] [comments]  ( 41 min )

https://buddingmanager.com/2023/01/26/https-buddingmanager-com-artificialintelligenceinbusiness/ submitted by /u/OriginalRecklessPark [link] [comments]  ( 40 min )

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Hi all, For my weekend project I figured I would build an AI driven spiritual successor to Mystery Science Theater 3000... Stop on by and watch the AI characters watch movies and make comments! Today they are watching "The House on Haunted Hill" and "Plan 9 From Outer Space." There's still a lot to do but I'm excited to play around with this more and see how it plays out and would love some feedback! https://twitch.tv/MysteryAItheater submitted by /u/caseigl [link] [comments]  ( 42 min )

I'm trying to put together pictures of my best friend (he unfortunately passed away) and myself together. We don't have any pictures of us together since our childhood /teen days. I would like to put our individually taken pics together using AI. Can someone recommend any tools? submitted by /u/mustufa2020 [link] [comments]  ( 41 min )

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Hi all, assuming the goal is to reach a ball on the table. The reward function used for this task is often: d= norm( gripper_position - ball_position ) , which will solve the problem. However, how can one teach the agent not to "directly" go to the ball, but creating a search pattern, for example, "scratching the surface with the gripper until you find the ball"? submitted by /u/Fun-Moose-3841 [link] [comments]  ( 43 min )

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We give an improved theoretical analysis of score-based generative modeling. Under a score estimate with small $L^2$ error (averaged across timesteps), we provide efficient convergence guarantees for any data distribution with second-order moment, by either employing early stopping or assuming smoothness condition on the score function of the data distribution. Our result does not rely on any log-concavity or functional inequality assumption and has a logarithmic dependence on the smoothness. In particular, we show that under only a finite second moment condition, approximating the following in reverse KL divergence in $\epsilon$-accuracy can be done in $\tilde O\left(\frac{d \log (1/\delta)}{\epsilon}\right)$ steps: 1) the variance-$\delta$ Gaussian perturbation of any data distribution; 2) data distributions with $1/\delta$-smooth score functions. Our analysis also provides a quantitative comparison between different discrete approximations and may guide the choice of discretization points in practice.

Learning underlying dynamics from data is important and challenging in many real-world scenarios. Incorporating differential equations (DEs) to design continuous networks has drawn much attention recently, however, most prior works make specific assumptions on the type of DEs, making the model specialized for particular problems. This work presents a partial differential equation (PDE) based framework which improves the dynamics modeling capability. Building upon the recent Fourier neural operator, we propose a neural operator that can handle time continuously without requiring iterative operations or specific grids of temporal discretization. A theoretical result demonstrating its universality is provided. We also uncover an intrinsic property of neural operators that improves data efficiency and model generalization by ensuring stability. Our model achieves superior accuracy in dealing with time-dependent PDEs compared to existing models. Furthermore, several numerical pieces of evidence validate that our method better represents a wide range of dynamics and outperforms state-of-the-art DE-based models in real-time-series applications. Our framework opens up a new way for a continuous representation of neural networks that can be readily adopted for real-world applications.

Probabilistic dynamics model ensemble is widely used in existing model-based reinforcement learning methods as it outperforms a single dynamics model in both asymptotic performance and sample efficiency. In this paper, we provide both practical and theoretical insights on the empirical success of the probabilistic dynamics model ensemble through the lens of Lipschitz continuity. We find that, for a value function, the stronger the Lipschitz condition is, the smaller the gap between the true dynamics- and learned dynamics-induced Bellman operators is, thus enabling the converged value function to be closer to the optimal value function. Hence, we hypothesize that the key functionality of the probabilistic dynamics model ensemble is to regularize the Lipschitz condition of the value function using generated samples. To test this hypothesis, we devise two practical robust training mechanisms through computing the adversarial noise and regularizing the value network's spectral norm to directly regularize the Lipschitz condition of the value functions. Empirical results show that combined with our mechanisms, model-based RL algorithms with a single dynamics model outperform those with an ensemble of probabilistic dynamics models. These findings not only support the theoretical insight, but also provide a practical solution for developing computationally efficient model-based RL algorithms.

Voice assistants overhear conversations and a consent management mechanism is required. Consent management can be implemented using speaker recognition. Users that do not give consent enrol their voice and all their further recordings are discarded. Building speaker recognition-based consent management is challenging as dynamic registration, removal, and re-registration of speakers must be efficiently handled. This work proposes a consent management system addressing the aforementioned challenges. A contrastive based training is applied to learn the underlying speaker equivariance inductive bias. The contrastive features for buckets of speakers are trained a few steps into each iteration and act as replay buffers. These features are progressively selected using a multi-strided random sampler for classification. Moreover, new methods for dynamic registration using a portion of old utterances, removal, and re-registration of speakers are proposed. The results verify memory efficiency and dynamic capabilities of the proposed methods and outperform the existing approach from the literature.

Model-based reinforcement learning (RL) often achieves higher sample efficiency in practice than model-free RL by learning a dynamics model to generate samples for policy learning. Previous works learn a dynamics model that fits under the empirical state-action visitation distribution for all historical policies, i.e., the sample replay buffer. However, in this paper, we observe that fitting the dynamics model under the distribution for \emph{all historical policies} does not necessarily benefit model prediction for the \emph{current policy} since the policy in use is constantly evolving over time. The evolving policy during training will cause state-action visitation distribution shifts. We theoretically analyze how this distribution shift over historical policies affects the model learning and model rollouts. We then propose a novel dynamics model learning method, named \textit{Policy-adapted Dynamics Model Learning (PDML)}. PDML dynamically adjusts the historical policy mixture distribution to ensure the learned model can continually adapt to the state-action visitation distribution of the evolving policy. Experiments on a range of continuous control environments in MuJoCo show that PDML achieves significant improvement in sample efficiency and higher asymptotic performance combined with the state-of-the-art model-based RL methods.

The use of data-driven decision support by public agencies is becoming more widespread and already influences the allocation of public resources. This raises ethical concerns, as it has adversely affected minorities and historically discriminated groups. In this paper, we use an approach that combines statistics and data-driven approaches with dynamical modeling to assess long-term fairness effects of labor market interventions. Specifically, we develop and use a model to investigate the impact of decisions caused by a public employment authority that selectively supports job-seekers through targeted help. The selection of who receives what help is based on a data-driven intervention model that estimates an individual's chances of finding a job in a timely manner and rests upon data that describes a population in which skills relevant to the labor market are unevenly distributed between two groups (e.g., males and females). The intervention model has incomplete access to the individual's actual skills and can augment this with knowledge of the individual's group affiliation, thus using a protected attribute to increase predictive accuracy. We assess this intervention model's dynamics -- especially fairness-related issues and trade-offs between different fairness goals -- over time and compare it to an intervention model that does not use group affiliation as a predictive feature. We conclude that in order to quantify the trade-off correctly and to assess the long-term fairness effects of such a system in the real-world, careful modeling of the surrounding labor market is indispensable.

Recent results on optimization and generalization properties of neural networks showed that in a simple two-layer network, the alignment of the labels to the eigenvectors of the corresponding Gram matrix determines the convergence of the optimization during training. Such analyses also provide upper bounds on the generalization error. We experimentally investigate the implications of these results to deeper networks via embeddings. We regard the layers preceding the final hidden layer as producing different representations of the input data which are then fed to the two-layer model. We show that these representations improve both optimization and generalization. In particular, we investigate three kernel representations when fed to the final hidden layer: the Gaussian kernel and its approximation by random Fourier features, kernels designed to imitate representations produced by neural networks and finally an optimal kernel designed to align the data with target labels. The approximated representations induced by these kernels are fed to the neural network and the optimization and generalization properties of the final model are evaluated and compared.

Ensemble models in E-commerce combine predictions from multiple sub-models for ranking and revenue improvement. Industrial ensemble models are typically deep neural networks, following the supervised learning paradigm to infer conversion rate given inputs from sub-models. However, this process has the following two problems. Firstly, the point-wise scoring approach disregards the relationships between items and leads to homogeneous displayed results, while diversified display benefits user experience and revenue. Secondly, the learning paradigm focuses on the ranking metrics and does not directly optimize the revenue. In our work, we propose a new Learning-To-Ensemble (LTE) framework RAEGO, which replaces the ensemble model with a contextual Rank Aggregator (RA) and explores the best weights of sub-models by the Evaluator-Generator Optimization (EGO). To achieve the best online performance, we propose a new rank aggregation algorithm TournamentGreedy as a refinement of classic rank aggregators, which also produces the best average weighted Kendall Tau Distance (KTD) amongst all the considered algorithms with quadratic time complexity. Under the assumption that the best output list should be Pareto Optimal on the KTD metric for sub-models, we show that our RA algorithm has higher efficiency and coverage in exploring the optimal weights. Combined with the idea of Bayesian Optimization and gradient descent, we solve the online contextual Black-Box Optimization task that finds the optimal weights for sub-models given a chosen RA model. RA-EGO has been deployed in our online system and has improved the revenue significantly.

The problem of how to genetically modify cells in order to maximize a certain cellular phenotype has taken center stage in drug development over the last few years (with, for example, genetically edited CAR-T, CAR-NK, and CAR-NKT cells entering cancer clinical trials). Exhausting the search space for all possible genetic edits (perturbations) or combinations thereof is infeasible due to cost and experimental limitations. This work provides a theoretically sound framework for iteratively exploring the space of perturbations in pooled batches in order to maximize a target phenotype under an experimental budget. Inspired by this application domain, we study the problem of batch query bandit optimization and introduce the Optimistic Arm Elimination ($\mathrm{OAE}$) principle designed to find an almost optimal arm under different functional relationships between the queries (arms) and the outputs (rewards). We analyze the convergence properties of $\mathrm{OAE}$ by relating it to the Eluder dimension of the algorithm's function class and validate that $\mathrm{OAE}$ outperforms other strategies in finding optimal actions in experiments on simulated problems, public datasets well-studied in bandit contexts, and in genetic perturbation datasets when the regression model is a deep neural network. OAE also outperforms the benchmark algorithms in 3 of 4 datasets in the GeneDisco experimental planning challenge.

Current abstractive summarization models either suffer from a lack of clear interpretability or provide incomplete rationales by only highlighting parts of the source document. To this end, we propose the Summarization Program (SP), an interpretable modular framework consisting of an (ordered) list of binary trees, each encoding the step-by-step generative process of an abstractive summary sentence from the source document. A Summarization Program contains one root node per summary sentence, and a distinct tree connects each summary sentence (root node) to the document sentences (leaf nodes) from which it is derived, with the connecting nodes containing intermediate generated sentences. Edges represent different modular operations involved in summarization such as sentence fusion, compression, and paraphrasing. We first propose an efficient best-first search method over neural modules, SP-Search that identifies SPs for human summaries by directly optimizing for ROUGE scores. Next, using these programs as automatic supervision, we propose seq2seq models that generate Summarization Programs, which are then executed to obtain final summaries. We demonstrate that SP-Search effectively represents the generative process behind human summaries using modules that are typically faithful to their intended behavior. We also conduct a simulation study to show that Summarization Programs improve the interpretability of summarization models by allowing humans to better simulate model reasoning. Summarization Programs constitute a promising step toward interpretable and modular abstractive summarization, a complex task previously addressed primarily through blackbox end-to-end neural systems. Supporting code available at https://github.com/swarnaHub/SummarizationPrograms

Federated learning aims to train models collaboratively across different clients without the sharing of data for privacy considerations. However, one major challenge for this learning paradigm is the {\em data heterogeneity} problem, which refers to the discrepancies between the local data distributions among various clients. To tackle this problem, we first study how data heterogeneity affects the representations of the globally aggregated models. Interestingly, we find that heterogeneous data results in the global model suffering from severe {\em dimensional collapse}, in which representations tend to reside in a lower-dimensional space instead of the ambient space. Moreover, we observe a similar phenomenon on models locally trained on each client and deduce that the dimensional collapse on the global model is inherited from local models. In addition, we theoretically analyze the gradient flow dynamics to shed light on how data heterogeneity result in dimensional collapse for local models. To remedy this problem caused by the data heterogeneity, we propose {\sc FedDecorr}, a novel method that can effectively mitigate dimensional collapse in federated learning. Specifically, {\sc FedDecorr} applies a regularization term during local training that encourages different dimensions of representations to be uncorrelated. {\sc FedDecorr}, which is implementation-friendly and computationally-efficient, yields consistent improvements over baselines on standard benchmark datasets. Code: https://github.com/Yujun-Shi/FedCLS.

Off-policy evaluation (OPE) is a method for estimating the return of a target policy using some pre-collected observational data generated by a potentially different behavior policy. In some cases, there may be unmeasured variables that can confound the action-reward or action-next-state relationships, rendering many existing OPE approaches ineffective. This paper develops an instrumental variable (IV)-based method for consistent OPE in confounded Markov decision processes (MDPs). Similar to single-stage decision making, we show that IV enables us to correctly identify the target policy's value in infinite horizon settings as well. Furthermore, we propose an efficient and robust value estimator and illustrate its effectiveness through extensive simulations and analysis of real data from a world-leading short-video platform.

Knowledge transfer is shown to be a very successful technique for training neural classifiers: together with the ground truth data, it uses the "privileged information" (PI) obtained by a "teacher" network to train a "student" network. It has been observed that classifiers learn much faster and more reliably via knowledge transfer. However, there has been little or no theoretical analysis of this phenomenon. To bridge this gap, we propose to approach the problem of knowledge transfer by regularizing the fit between the teacher and the student with PI provided by the teacher. Using tools from dynamical systems theory, we show that when the student is an extremely wide two layer network, we can analyze it in the kernel regime and show that it is able to interpolate between PI and the given data. This characterization sheds new light on the relation between the training error and capacity of the student relative to the teacher. Another contribution of the paper is a quantitative statement on the convergence of student network. We prove that the teacher reduces the number of required iterations for a student to learn, and consequently improves the generalization power of the student. We give corresponding experimental analysis that validates the theoretical results and yield additional insights.

In this paper, we ask whether Vision Transformers (ViTs) can serve as an underlying architecture for improving the adversarial robustness of machine learning models against evasion attacks. While earlier works have focused on improving Convolutional Neural Networks, we show that also ViTs are highly suitable for adversarial training to achieve competitive performance. We achieve this objective using a custom adversarial training recipe, discovered using rigorous ablation studies on a subset of the ImageNet dataset. The canonical training recipe for ViTs recommends strong data augmentation, in part to compensate for the lack of vision inductive bias of attention modules, when compared to convolutions. We show that this recipe achieves suboptimal performance when used for adversarial training. In contrast, we find that omitting all heavy data augmentation, and adding some additional bag-of-tricks ($\varepsilon$-warmup and larger weight decay), significantly boosts the performance of robust ViTs. We show that our recipe generalizes to different classes of ViT architectures and large-scale models on full ImageNet-1k. Additionally, investigating the reasons for the robustness of our models, we show that it is easier to generate strong attacks during training when using our recipe and that this leads to better robustness at test time. Finally, we further study one consequence of adversarial training by proposing a way to quantify the semantic nature of adversarial perturbations and highlight its correlation with the robustness of the model. Overall, we recommend that the community should avoid translating the canonical training recipes in ViTs to robust training and rethink common training choices in the context of adversarial training.

Performance of machine learning models may differ between training and deployment for many reasons. For instance, model performance can change between environments due to changes in data quality, observing a different population than the one in training, or changes in the relationship between labels and features. These changes result in distribution shifts across environments. Attributing model performance changes to specific shifts is critical for identifying sources of model failures, and for taking mitigating actions that ensure robust models. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Many industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown process characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. In this paper, we demonstrate the application of an adaptive and explorative real-time optimization framework to an industrial refrigeration process, where we learn the process characteristics through changes in process control targets and through exploration to satisfy safety constraints. We quantify the uncertainty in unknown compressor characteristics of the refrigeration plant by using Gaussian processes and incorporate this uncertainty into the objective function of the real-time optimization problem as a weighted cost term. We adaptively control the weight of this term to drive exploration. The results of our simulation experiments indicate the proposed approach can help to increase the energy efficiency of the considered refrigeration process, closely approximating the performance of a solution that has complete information about the compressor performance characteristics.

During recent years the interest of optimization and machine learning communities in high-probability convergence of stochastic optimization methods has been growing. One of the main reasons for this is that high-probability complexity bounds are more accurate and less studied than in-expectation ones. However, SOTA high-probability non-asymptotic convergence results are derived under strong assumptions such as the boundedness of the gradient noise variance or of the objective's gradient itself. In this paper, we propose several algorithms with high-probability convergence results under less restrictive assumptions. In particular, we derive new high-probability convergence results under the assumption that the gradient/operator noise has bounded central $\alpha$-th moment for $\alpha \in (1,2]$ in the following setups: (i) smooth non-convex / Polyak-Lojasiewicz / convex / strongly convex / quasi-strongly convex minimization problems, (ii) Lipschitz / star-cocoercive and monotone / quasi-strongly monotone variational inequalities. These results justify the usage of the considered methods for solving problems that do not fit standard functional classes studied in stochastic optimization.

NDCG, namely Normalized Discounted Cumulative Gain, is a widely used ranking metric in information retrieval and machine learning. However, efficient and provable stochastic methods for maximizing NDCG are still lacking, especially for deep models. In this paper, we propose a principled approach to optimize NDCG and its top-$K$ variant. First, we formulate a novel compositional optimization problem for optimizing the NDCG surrogate, and a novel bilevel compositional optimization problem for optimizing the top-$K$ NDCG surrogate. Then, we develop efficient stochastic algorithms with provable convergence guarantees for the non-convex objectives. Different from existing NDCG optimization methods, the per-iteration complexity of our algorithms scales with the mini-batch size instead of the number of total items. To improve the effectiveness for deep learning, we further propose practical strategies by using initial warm-up and stop gradient operator. Experimental results on multiple datasets demonstrate that our methods outperform prior ranking approaches in terms of NDCG. To the best of our knowledge, this is the first time that stochastic algorithms are proposed to optimize NDCG with a provable convergence guarantee. Our proposed methods are implemented in the LibAUC library at https://libauc.org/.

Future generations of mobile networks are expected to contain more and more antennas with growing complexity and more parameters. Optimizing these parameters is necessary for ensuring the good performance of the network. The scale of mobile networks makes it challenging to optimize antenna parameters using manual intervention or hand-engineered strategies. Reinforcement learning is a promising technique to address this challenge but existing methods often use local optimizations to scale to large network deployments. We propose a new multi-agent reinforcement learning algorithm to optimize mobile network configurations globally. By using a value decomposition approach, our algorithm can be trained from a global reward function instead of relying on an ad-hoc decomposition of the network performance across the different cells. The algorithm uses a graph neural network architecture which generalizes to different network topologies and learns coordination behaviors. We empirically demonstrate the performance of the algorithm on an antenna tilt tuning problem and a joint tilt and power control problem in a simulated environment.

We study the problem of robust distribution estimation under the Wasserstein metric, a popular discrepancy measure between probability distributions rooted in optimal transport (OT) theory. We introduce a new outlier-robust Wasserstein distance $\mathsf{W}_p^\varepsilon$ which allows for $\varepsilon$ outlier mass to be removed from its input distributions, and show that minimum distance estimation under $\mathsf{W}_p^\varepsilon$ achieves minimax optimal robust estimation risk. Our analysis is rooted in several new results for partial OT, including an approximate triangle inequality, which may be of independent interest. To address computational tractability, we derive a dual formulation for $\mathsf{W}_p^\varepsilon$ that adds a simple penalty term to the classic Kantorovich dual objective. As such, $\mathsf{W}_p^\varepsilon$ can be implemented via an elementary modification to standard, duality-based OT solvers. Our results are extended to sliced OT, where distributions are projected onto low-dimensional subspaces, and applications to homogeneity and independence testing are explored. We illustrate the virtues of our framework via applications to generative modeling with contaminated datasets.

Context data is in demand more than ever with the rapid increase in the development of many context-aware Internet of Things applications. Research in context and context-awareness is being conducted to broaden its applicability in light of many practical and technical challenges. One of the challenges is improving performance when responding to large number of context queries. Context Management Platforms that infer and deliver context to applications measure this problem using Quality of Service (QoS) parameters. Although caching is a proven way to improve QoS, transiency of context and features such as variability, heterogeneity of context queries pose an additional real-time cost management problem. This paper presents a critical survey of state-of-the-art in adaptive data caching with the objective of developing a body of knowledge in cost- and performance-efficient adaptive caching strategies. We comprehensively survey a large number of research publications and evaluate, compare, and contrast different techniques, policies, approaches, and schemes in adaptive caching. Our critical analysis is motivated by the focus on adaptively caching context as a core research problem. A formal definition for adaptive context caching is then proposed, followed by identified features and requirements of a well-designed, objective optimal adaptive context caching strategy.

Several recent works encourage the use of a Bayesian framework when assessing performance and fairness metrics of a classification algorithm in a supervised setting. We propose the Uncertainty Matters (UM) framework that generalizes a Beta-Binomial approach to derive the posterior distribution of any criteria combination, allowing stable performance assessment in a bias-aware setting.We suggest modeling the confusion matrix of each demographic group using a Multinomial distribution updated through a Bayesian procedure. We extend UM to be applicable under the popular K-fold cross-validation procedure. Experiments highlight the benefits of UM over classical evaluation frameworks regarding informativeness and stability.

Recent advances in Transformers have come with a huge requirement on computing resources, highlighting the importance of developing efficient training techniques to make Transformer training faster, at lower cost, and to higher accuracy by the efficient use of computation and memory resources. This survey provides the first systematic overview of the efficient training of Transformers, covering the recent progress in acceleration arithmetic and hardware, with a focus on the former. We analyze and compare methods that save computation and memory costs for intermediate tensors during training, together with techniques on hardware/algorithm co-design. We finally discuss challenges and promising areas for future research.

This paper presents new machine learning approaches to approximate the solutions of optimal stopping problems. The key idea of these methods is to use neural networks, where the parameters of the hidden layers are generated randomly and only the last layer is trained, in order to approximate the continuation value. Our approaches are applicable to high dimensional problems where the existing approaches become increasingly impractical. In addition, since our approaches can be optimized using simple linear regression, they are easy to implement and theoretical guarantees are provided. Our randomized reinforcement learning approach and randomized recurrent neural network approach outperform the state-of-the-art and other relevant machine learning approaches in Markovian and non-Markovian examples, respectively. In particular, we test our approaches on Black-Scholes, Heston, rough Heston and fractional Brownian motion. Moreover, we show that they can also be used to efficiently compute Greeks of American options.

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of joint predictions of labels across multiple inputs. In principle, ensemble-based approaches produce effective joint predictions, but the computational costs of training large ensembles can become prohibitive. We introduce the epinet: an architecture that can supplement any conventional neural network, including large pretrained models, and can be trained with modest incremental computation to estimate uncertainty. With an epinet, conventional neural networks outperform very large ensembles, consisting of hundreds or more particles, with orders of magnitude less computation. The epinet does not fit the traditional framework of Bayesian neural networks. To accommodate development of approaches beyond BNNs, such as the epinet, we introduce the epistemic neural network (ENN) as an interface for models that produce joint predictions.

Fully supervised log anomaly detection methods suffer the heavy burden of annotating massive unlabeled log data. Recently, many semi-supervised methods have been proposed to reduce annotation costs with the help of parsed templates. However, these methods consider each keyword independently, which disregards the correlation between keywords and the contextual relationships among log sequences. In this paper, we propose a novel weakly supervised log anomaly detection framework, named LogLG, to explore the semantic connections among keywords from sequences. Specifically, we design an end-to-end iterative process, where the keywords of unlabeled logs are first extracted to construct a log-event graph. Then, we build a subgraph annotator to generate pseudo labels for unlabeled log sequences. To ameliorate the annotation quality, we adopt a self-supervised task to pre-train a subgraph annotator. After that, a detection model is trained with the generated pseudo labels. Conditioned on the classification results, we re-extract the keywords from the log sequences and update the log-event graph for the next iteration. Experiments on five benchmarks validate the effectiveness of LogLG for detecting anomalies on unlabeled log data and demonstrate that LogLG, as the state-of-the-art weakly supervised method, achieves significant performance improvements compared to existing methods.

Event Detection (ED) aims to identify event trigger words from a given text and classify it into an event type. Most of current methods to ED rely heavily on training instances, and almost ignore the correlation of event types. Hence, they tend to suffer from data scarcity and fail to handle new unseen event types. To address these problems, we formulate ED as a process of event ontology population: linking event instances to pre-defined event types in event ontology, and propose a novel ED framework entitled OntoED with ontology embedding. We enrich event ontology with linkages among event types, and further induce more event-event correlations. Based on the event ontology, OntoED can leverage and propagate correlation knowledge, particularly from data-rich to data-poor event types. Furthermore, OntoED can be applied to new unseen event types, by establishing linkages to existing ones. Experiments indicate that OntoED is more predominant and robust than previous approaches to ED, especially in data-scarce scenarios.

Previous work has separately addressed different forms of action, state and action-state entropy regularization, pure exploration and space occupation. These problems have become extremely relevant for regularization, generalization, speeding up learning and providing robust solutions at unprecedented levels. However, solutions of those problems are hectic, ranging from convex and non-convex optimization, and unconstrained optimization to constrained optimization. Here we provide a general dual function formalism that transforms the constrained optimization problem into an unconstrained convex one for any mixture of action and state entropies. The cases with pure action entropy and pure state entropy are understood as limits of the mixture.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

Post-hoc explanation methods have become a critical tool for understanding black-box classifiers in high-stakes applications, precipitating a need for reliable explanations. Nevertheless, recent works have shown that many existing methods can be inconsistent or lack robustness. In addition, high-performing classifiers are often highly nonlinear and can exhibit complex behavior around the decision boundary, leading to brittle or misleading local explanations. Therefore there is an impending need to quantify the uncertainty of such explanation methods in order to understand when explanations are trustworthy. In this work, we propose a novel geodesic-based kernel which captures the complexity of the target black-box decision boundary. We show theoretically that the proposed kernel similarity increases with the complexity of the decision boundary. In addition, we introduce the Gaussian Process Explanation UnCertainty (GPEC) framework, which generates a unified uncertainty estimate combining decision boundary-aware uncertainty with existing explanation uncertainty methods. The proposed framework is highly flexible; it can be used with any black-box classifier and feature attribution method. Empirical results on multiple tabular and image datasets show that the GPEC uncertainty estimate improves understanding of explanations as compared to existing methods.

Traditional deep learning algorithms often fail to generalize when they are tested outside of the domain of the training data. The issue can be mitigated by using unlabeled data from the target domain at training time, but because data distributions can change dynamically in real-life applications once a learned model is deployed, it is critical to create networks robust to unknown and unforeseen domain shifts. In this paper we focus on one of the reasons behind the inability of neural networks to be so: deep networks focus only on the most obvious, potentially spurious, clues to make their predictions and are blind to useful but slightly less efficient or more complex patterns. This behaviour has been identified and several methods partially addressed the issue. To investigate their effectiveness and limits, we first design a publicly available MNIST-based benchmark to precisely measure the ability of an algorithm to find the ''hidden'' patterns. Then, we evaluate state-of-the-art algorithms through our benchmark and show that the issue is largely unsolved. Finally, we propose a partially reversed contrastive loss to encourage intra-class diversity and find less strongly correlated patterns, whose efficiency is demonstrated by our experiments.

Using gradient descent (GD) with fixed or decaying step-size is a standard practice in unconstrained optimization problems. However, when the loss function is only locally convex, such a step-size schedule artificially slows GD down as it cannot explore the flat curvature of the loss function. To overcome that issue, we propose to exponentially increase the step-size of the GD algorithm. Under homogeneous assumptions on the loss function, we demonstrate that the iterates of the proposed \emph{exponential step size gradient descent} (EGD) algorithm converge linearly to the optimal solution. Leveraging that optimization insight, we then consider using the EGD algorithm for solving parameter estimation under both regular and non-regular statistical models whose loss function becomes locally convex when the sample size goes to infinity. We demonstrate that the EGD iterates reach the final statistical radius within the true parameter after a logarithmic number of iterations, which is in stark contrast to a \emph{polynomial} number of iterations of the GD algorithm in non-regular statistical models. Therefore, the total computational complexity of the EGD algorithm is \emph{optimal} and exponentially cheaper than that of the GD for solving parameter estimation in non-regular statistical models while being comparable to that of the GD in regular statistical settings. To the best of our knowledge, it resolves a long-standing gap between statistical and algorithmic computational complexities of parameter estimation in non-regular statistical models. Finally, we provide targeted applications of the general theory to several classes of statistical models, including generalized linear models with polynomial link functions and location Gaussian mixture models.

We study the dynamics and implicit bias of gradient flow (GF) on univariate ReLU neural networks with a single hidden layer in a binary classification setting. We show that when the labels are determined by the sign of a target network with $r$ neurons, with high probability over the initialization of the network and the sampling of the dataset, GF converges in direction (suitably defined) to a network achieving perfect training accuracy and having at most $\mathcal{O}(r)$ linear regions, implying a generalization bound. Unlike many other results in the literature, under an additional assumption on the distribution of the data, our result holds even for mild over-parameterization, where the width is $\tilde{\mathcal{O}}(r)$ and independent of the sample size.

In many environmental applications, recurrent neural networks (RNNs) are often used to model physical variables with long temporal dependencies. However, due to mini-batch training, temporal relationships between training segments within the batch (intra-batch) as well as between batches (inter-batch) are not considered, which can lead to limited performance. Stateful RNNs aim to address this issue by passing hidden states between batches. Since Stateful RNNs ignore intra-batch temporal dependency, there exists a trade-off between training stability and capturing temporal dependency. In this paper, we provide a quantitative comparison of different Stateful RNN modeling strategies, and propose two strategies to enforce both intra- and inter-batch temporal dependency. First, we extend Stateful RNNs by defining a batch as a temporally ordered set of training segments, which enables intra-batch sharing of temporal information. While this approach significantly improves the performance, it leads to much larger training times due to highly sequential training. To address this issue, we further propose a new strategy which augments a training segment with an initial value of the target variable from the timestep right before the starting of the training segment. In other words, we provide an initial value of the target variable as additional input so that the network can focus on learning changes relative to that initial value. By using this strategy, samples can be passed in any order (mini-batch training) which significantly reduces the training time while maintaining the performance. In demonstrating our approach in hydrological modeling, we observe that the most significant gains in predictive accuracy occur when these methods are applied to state variables whose values change more slowly, such as soil water and snowpack, rather than continuously moving flux variables such as streamflow.

Feature selection is a technique in statistical prediction modeling that identifies features in a record with a strong statistical connection to the target variable. Excluding features with a weak statistical connection to the target variable in training not only drops the dimension of the data, which decreases the time complexity of the algorithm, it also decreases noise within the data which assists in avoiding overfitting. In all, feature selection assists in training a robust statistical model that performs well and is stable. Given the lack of scalability in classical computation, current techniques only consider the predictive power of the feature and not redundancy between the features themselves. Recent advancements in feature selection that leverages quantum annealing (QA) gives a scalable technique that aims to maximize the predictive power of the features while minimizing redundancy. As a consequence, it is expected that this algorithm would assist in the bias/variance trade-off yielding better features for training a statistical model. This paper tests this intuition against classical methods by utilizing open-source data sets and evaluate the efficacy of each trained statistical model well-known prediction algorithms. The numerical results display an advantage utilizing the features selected from the algorithm that leveraged QA.

Depth separation results propose a possible theoretical explanation for the benefits of deep neural networks over shallower architectures, establishing that the former possess superior approximation capabilities. However, there are no known results in which the deeper architecture leverages this advantage into a provable optimization guarantee. We prove that when the data are generated by a distribution with radial symmetry which satisfies some mild assumptions, gradient descent can efficiently learn ball indicator functions using a depth 2 neural network with two layers of sigmoidal activations, and where the hidden layer is held fixed throughout training. By building on and refining existing techniques for approximation lower bounds of neural networks with a single layer of non-linearities, we show that there are $d$-dimensional radial distributions on the data such that ball indicators cannot be learned efficiently by any algorithm to accuracy better than $\Omega(d^{-4})$, nor by a standard gradient descent implementation to accuracy better than a constant. These results establish what is to the best of our knowledge, the first optimization-based separations where the approximation benefits of the stronger architecture provably manifest in practice. Our proof technique introduces new tools and ideas that may be of independent interest in the theoretical study of both the approximation and optimization of neural networks.

A fundamental question in designing lossy data compression schemes is how well one can do in comparison with the rate-distortion function, which describes the known theoretical limits of lossy compression. Motivated by the empirical success of deep neural network (DNN) compressors on large, real-world data, we investigate methods to estimate the rate-distortion function on such data, which would allow comparison of DNN compressors with optimality. While one could use the empirical distribution of the data and apply the Blahut-Arimoto algorithm, this approach presents several computational challenges and inaccuracies when the datasets are large and high-dimensional, such as the case of modern image datasets. Instead, we re-formulate the rate-distortion objective, and solve the resulting functional optimization problem using neural networks. We apply the resulting rate-distortion estimator, called NERD, on popular image datasets, and provide evidence that NERD can accurately estimate the rate-distortion function. Using our estimate, we show that the rate-distortion achievable by DNN compressors are within several bits of the rate-distortion function for real-world datasets. Additionally, NERD provides access to the rate-distortion achieving channel, as well as samples from its output marginal. Therefore, using recent results in reverse channel coding, we describe how NERD can be used to construct an operational one-shot lossy compression scheme with guarantees on the achievable rate and distortion. Experimental results demonstrate competitive performance with DNN compressors.

This paper studies third-degree price discrimination (3PD) based on a random sample of valuation and covariate data, where the covariate is continuous, and the distribution of the data is unknown to the seller. The main results of this paper are twofold. The first set of results is pricing strategy independent and reveals the fundamental information-theoretic limitation of any data-based pricing strategy in revenue generation for two cases: 3PD and uniform pricing. The second set of results proposes the $K$-markets empirical revenue maximization (ERM) strategy and shows that the $K$-markets ERM and the uniform ERM strategies achieve the optimal rate of convergence in revenue to that generated by their respective true-distribution 3PD and uniform pricing optima. Our theoretical and numerical results suggest that the uniform (i.e., $1$-market) ERM strategy generates a larger revenue than the $K$-markets ERM strategy when the sample size is small enough, and vice versa.

Simple regret is a natural and parameter-free performance criterion for pure exploration in multi-armed bandits yet is less popular than the probability of missing the best arm or an $\epsilon$-good arm, perhaps due to lack of easy ways to characterize it. In this paper, we make significant progress on minimizing simple regret in both data-rich ($T\ge n$) and data-poor regime ($T \le n$) where $n$ is the number of arms, and $T$ is the number of samples. At its heart is our improved instance-dependent analysis of the well-known Sequential Halving (SH) algorithm, where we bound the probability of returning an arm whose mean reward is not within $\epsilon$ from the best (i.e., not $\epsilon$-good) for \textit{any} choice of $\epsilon>0$, although $\epsilon$ is not an input to SH. Our bound not only leads to an optimal worst-case simple regret bound of $\sqrt{n/T}$ up to logarithmic factors but also essentially matches the instance-dependent lower bound for returning an $\epsilon$-good arm reported by Katz-Samuels and Jamieson (2020). For the more challenging data-poor regime, we propose Bracketing SH (BSH) that enjoys the same improvement even without sampling each arm at least once. Our empirical study shows that BSH outperforms existing methods on real-world tasks.

Spatial data exhibits the property that nearby points are correlated. This also holds for learnt representations across layers, but not for commonly used weight initialization methods. Our theoretical analysis quantifies the learning behavior of weights of a single spatial filter. It is thus in contrast to a large body of work that discusses statistical properties of weights. It shows that uncorrelated initialization (i) might lead to poor convergence behavior and (ii) training of (some) parameters is likely subject to slow convergence. Empirical analysis shows that these findings for a single spatial filter extend to networks with many spatial filters. The impact of (correlated) initialization depends strongly on learning rates and l2-regularization.

Differing from the well-developed horizontal object detection area whereby the computing-friendly IoU based loss is readily adopted and well fits with the detection metrics. In contrast, rotation detectors often involve a more complicated loss based on SkewIoU which is unfriendly to gradient-based training. In this paper, we propose an effective approximate SkewIoU loss based on Gaussian modeing and Kalman filter, which mainly consists of two items. The first term is a scale-insensitive center point loss, which is used to quickly get the center points between bounding boxes closer to assist the second term. In the distance-independent second term, Kalman filter is adopted to inherently mimic the mechanism of SkewIoU by its definition, and show its alignment with the SkewIoU loss at trend-level within a certain distance (i.e. within 9 pixels). This is in contrast to recent Gaussian modeling based rotation detectors e.g. GWD loss and KLD loss that involve a human-specified distribution distance metric which require additional hyperparameter tuning that vary across datasets and detectors. The resulting new loss called KFIoU loss is easier to implement and works better compared with exact SkewIoU loss, thanks to its full differentiability and ability to handle the non-overlapping cases. We further extend our technique to the 3-D case which also suffers from the same issues as 2-D detection. Extensive results on various public datasets (2-D/3-D, aerial/text/face images) with different base detectors show the effectiveness of our approach.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

Event detection (ED), a sub-task of event extraction, involves identifying triggers and categorizing event mentions. Existing methods primarily rely upon supervised learning and require large-scale labeled event datasets which are unfortunately not readily available in many real-life applications. In this paper, we consider and reformulate the ED task with limited labeled data as a Few-Shot Learning problem. We propose a Dynamic-Memory-Based Prototypical Network (DMB-PN), which exploits Dynamic Memory Network (DMN) to not only learn better prototypes for event types, but also produce more robust sentence encodings for event mentions. Differing from vanilla prototypical networks simply computing event prototypes by averaging, which only consume event mentions once, our model is more robust and is capable of distilling contextual information from event mentions for multiple times due to the multi-hop mechanism of DMNs. The experiments show that DMB-PN not only deals with sample scarcity better than a series of baseline models but also performs more robustly when the variety of event types is relatively large and the instance quantity is extremely small.

Self-supervised learning aims to learn a embedding space where semantically similar samples are close. Contrastive learning methods pull views of samples together and push different samples away, which utilizes semantic invariance of augmentation but ignores the relationship between samples. To better exploit the power of augmentation, we observe that semantically similar samples are more likely to have similar augmented views. Therefore, we can take the augmented views as a special description of a sample. In this paper, we model such a description as the augmentation distribution and we call it augmentation feature. The similarity in augmentation feature reflects how much the views of two samples overlap and is related to their semantical similarity. Without computational burdens to explicitly estimate values of the augmentation feature, we propose Augmentation Component Analysis (ACA) with a contrastive-like loss to learn principal components and an on-the-fly projection loss to embed data. ACA equals an efficient dimension reduction by PCA and extracts low-dimensional embeddings, theoretically preserving the similarity of augmentation distribution between samples. Empirical results show our method can achieve competitive results against various traditional contrastive learning methods on different benchmarks.

In federated learning, a large number of users are involved in a global learning task, in a collaborative way. They alternate local computations and two-way communication with a distant orchestrating server. Communication, which can be slow and costly, is the main bottleneck in this setting. To reduce the communication load and therefore accelerate distributed gradient descent, two strategies are popular: 1) communicate less frequently; that is, perform several iterations of local computations between the communication rounds; and 2) communicate compressed information instead of full-dimensional vectors. We propose the first algorithm for distributed optimization and federated learning, which harnesses these two strategies jointly and converges linearly to an exact solution in the strongly convex setting, with a doubly accelerated rate: our algorithm benefits from the two acceleration mechanisms provided by local training and compression, namely a better dependency on the condition number of the functions and on the dimension of the model, respectively.

If you ask a human to describe an image, they might do so in a thousand different ways. Traditionally, image captioning models are trained to approximate the reference distribution of image captions, however, doing so encourages captions that are viewpoint-impoverished. Such captions often focus on only a subset of the possible details, while ignoring potentially useful information in the scene. In this work, we introduce a simple, yet novel, method: "Image Captioning by Committee Consensus" ($IC^3$), designed to generate a single caption that captures high-level details from several viewpoints. Notably, humans rate captions produced by $IC^3$ at least as helpful as baseline SOTA models more than two thirds of the time, and $IC^3$ captions can improve the performance of SOTA automated recall systems by up to 84%, indicating significant material improvements over existing SOTA approaches for visual description. Our code is publicly available at https://github.com/DavidMChan/caption-by-committee

This paper studies the fundamental limits of reinforcement learning (RL) in the challenging \emph{partially observable} setting. While it is well-established that learning in Partially Observable Markov Decision Processes (POMDPs) requires exponentially many samples in the worst case, a surge of recent work shows that polynomial sample complexities are achievable under the \emph{revealing condition} -- A natural condition that requires the observables to reveal some information about the unobserved latent states. However, the fundamental limits for learning in revealing POMDPs are much less understood, with existing lower bounds being rather preliminary and having substantial gaps from the current best upper bounds. We establish strong PAC and regret lower bounds for learning in revealing POMDPs. Our lower bounds scale polynomially in all relevant problem parameters in a multiplicative fashion, and achieve significantly smaller gaps against the current best upper bounds, providing a solid starting point for future studies. In particular, for \emph{multi-step} revealing POMDPs, we show that (1) the latent state-space dependence is at least $\Omega(S^{1.5})$ in the PAC sample complexity, which is notably harder than the $\widetilde{\Theta}(S)$ scaling for fully-observable MDPs; (2) Any polynomial sublinear regret is at least $\Omega(T^{2/3})$, suggesting its fundamental difference from the \emph{single-step} case where $\widetilde{O}(\sqrt{T})$ regret is achievable. Technically, our hard instance construction adapts techniques in \emph{distribution testing}, which is new to the RL literature and may be of independent interest.

We propose Dual PatchNorm: two Layer Normalization layers (LayerNorms), before and after the patch embedding layer in Vision Transformers. We demonstrate that Dual PatchNorm outperforms the result of exhaustive search for alternative LayerNorm placement strategies in the Transformer block itself. In our experiments, incorporating this trivial modification, often leads to improved accuracy over well-tuned Vision Transformers and never hurts.

We propose the first Bayesian encoder for metric learning. Rather than relying on neural amortization as done in prior works, we learn a distribution over the network weights with the Laplace Approximation. We actualize this by first proving that the contrastive loss is a valid log-posterior. We then propose three methods that ensure a positive definite Hessian. Lastly, we present a novel decomposition of the Generalized Gauss-Newton approximation. Empirically, we show that our Laplacian Metric Learner (LAM) estimates well-calibrated uncertainties, reliably detects out-of-distribution examples, and yields state-of-the-art predictive performance.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

The conflict between strength and toughness is a fundamental problem in engineering materials design. However, systematic discovery of microstructured composites with optimal strength-toughness trade-offs has never been demonstrated due to the discrepancies between simulation and reality and the lack of data-efficient exploration of the entire Pareto front. Here, we report a widely applicable pipeline harnessing physical experiments, numerical simulations, and artificial neural networks to efficiently discover microstructured designs that are simultaneously tough and strong. Using a physics-based simulator with moderate complexity, our strategy runs a data-driven proposal-validation workflow in a nested-loop fashion to bridge the gap between simulation and reality in high sample efficiency. Without any prescribed expert knowledge of materials design, our approach automatically identifies existing toughness enhancement mechanisms that were traditionally discovered through trial-and-error or biomimicry. We provide a blueprint for the computational discovery of optimal designs, which inverts traditional scientific approaches, and is applicable to a wide range of research problems beyond composites, including polymer chemistry, fluid dynamics, meteorology, and robotics.

We prove rigorous bounds on the errors resulting from the approximation of the incompressible Navier-Stokes equations with (extended) physics informed neural networks. We show that the underlying PDE residual can be made arbitrarily small for tanh neural networks with two hidden layers. Moreover, the total error can be estimated in terms of the training error, network size and number of quadrature points. The theory is illustrated with numerical experiments.

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network information or molecule structural features to predict potential interaction link. However, the biomedical network information based methods usually suffer from cold start problem, while structure based methods often give limited performance due to the structure/interaction assumption and data quality. To address these issues, we propose a pseudo-siamese Graph Neural Network method, namely MTINet+, which learns both biomedical network topological and molecule structural/chemical information as representations to predict potential interaction of given molecule and target pair. In MTINet+, 1-hop subgraphs of given molecule and target pair are extracted from known interaction of biomedical network as topological information, meanwhile the molecule structural and chemical attributes are processed as molecule information. MTINet+ learns these two types of information as embedding features for predicting the pair link. In the experiments of different molecule-target interaction tasks, MTINet+ significantly outperforms over the state-of-the-art baselines. In addition, in our designed network sparsity experiments , MTINet+ shows strong robustness against different sparse biomedical networks.

Multi-objective Bayesian optimization aims to find the Pareto front of optimal trade-offs between a set of expensive objectives while collecting as few samples as possible. In some cases, it is possible to evaluate the objectives separately, and a different latency or evaluation cost can be associated with each objective. This presents an opportunity to learn the Pareto front faster by evaluating the cheaper objectives more frequently. We propose a scalarization based knowledge gradient acquisition function which accounts for the different evaluation costs of the objectives. We prove consistency of the algorithm and show empirically that it significantly outperforms a benchmark algorithm which always evaluates both objectives.

While many solutions for privacy-preserving convex empirical risk minimization (ERM) have been developed, privacy-preserving nonconvex ERM remains a challenge. We study nonconvex ERM, which takes the form of minimizing a finite-sum of nonconvex loss functions over a training set. We propose a new differentially private stochastic gradient descent algorithm for nonconvex ERM that achieves strong privacy guarantees efficiently, and provide a tight analysis of its privacy and utility guarantees, as well as its gradient complexity. Our algorithm reduces gradient complexity while improves the best previous utility guarantee given by Wang et al. (NeurIPS 2017). Our experiments on benchmark nonconvex ERM problems demonstrate superior performance in terms of both training cost and utility gains compared with previous differentially private methods using the same privacy budgets.

Fully decentralized learning, where the global information, i.e., the actions of other agents, is inaccessible, is a fundamental challenge in cooperative multi-agent reinforcement learning. However, the convergence and optimality of most decentralized algorithms are not theoretically guaranteed, since the transition probabilities are non-stationary as all agents are updating policies simultaneously. To tackle this challenge, we propose best possible operator, a novel decentralized operator, and prove that the policies of agents will converge to the optimal joint policy if each agent independently updates its individual state-action value by the operator. Further, to make the update more efficient and practical, we simplify the operator and prove that the convergence and optimality still hold with the simplified one. By instantiating the simplified operator, the derived fully decentralized algorithm, best possible Q-learning (BQL), does not suffer from non-stationarity. Empirically, we show that BQL achieves remarkable improvement over baselines in a variety of cooperative multi-agent tasks.

We present Factor Fields, a novel framework for modeling and representing signals. Factor Fields decomposes a signal into a product of factors, each of which is represented by a neural or regular field representation operating on a coordinate transformed input signal. We show that this decomposition yields a unified framework that generalizes several recent signal representations including NeRF, PlenOxels, EG3D, Instant-NGP, and TensoRF. Moreover, the framework allows for the creation of powerful new signal representations, such as the Coefficient-Basis Factorization (CoBaFa) which we propose in this paper. As evidenced by our experiments, CoBaFa leads to improvements over previous fast reconstruction methods in terms of the three critical goals in neural signal representation: approximation quality, compactness and efficiency. Experimentally, we demonstrate that our representation achieves better image approximation quality on 2D image regression tasks, higher geometric quality when reconstructing 3D signed distance fields and higher compactness for radiance field reconstruction tasks compared to previous fast reconstruction methods. Besides, our CoBaFa representation enables generalization by sharing the basis across signals during training, enabling generalization tasks such as image regression with sparse observations and few-shot radiance field reconstruction.

Many visualizations have been developed for explainable AI (XAI), but they often require further reasoning by users to interpret. We argue that XAI should support abductive reasoning - inference to the best explanation - with diagrammatic reasoning to convey hypothesis generation and evaluation. Inspired by Peircean diagrammatic reasoning and the 5-step abduction process, we propose Diagrammatization, an approach to provide diagrammatic, abductive explanations based on domain hypotheses. We implemented DiagramNet for a clinical application to predict diagnoses from heart auscultation, and explain with shape-based murmur diagrams. In modeling studies, we found that DiagramNet not only provides faithful murmur shape explanations, but also has better prediction performance than baseline models. We further demonstrate the usefulness of diagrammatic explanations in a qualitative user study with medical students, showing that clinically-relevant, diagrammatic explanations are preferred over technical saliency map explanations. This work contributes insights into providing domain-conventional abductive explanations for user-centric XAI.

Heterogeneous graphs offer powerful data representations for traffic, given their ability to model the complex interaction effects among a varying number of traffic participants and the underlying road infrastructure. With the recent advent of graph neural networks (GNNs) as the accompanying deep learning framework, the graph structure can be efficiently leveraged for various machine learning applications such as trajectory prediction. As a first of its kind, our proposed Python framework offers an easy-to-use and fully customizable data processing pipeline to extract standardized graph datasets from traffic scenarios. Providing a platform for GNN-based autonomous driving research, it improves comparability between approaches and allows researchers to focus on model implementation instead of dataset curation.

We introduce Neuro-Symbolic Continual Learning, where a model has to solve a sequence of neuro-symbolic tasks, that is, it has to map sub-symbolic inputs to high-level concepts and compute predictions by reasoning consistently with prior knowledge. Our key observation is that neuro-symbolic tasks, although different, often share concepts whose semantics remains stable over time. Traditional approaches fall short: existing continual strategies ignore knowledge altogether, while stock neuro-symbolic architectures suffer from catastrophic forgetting. We show that leveraging prior knowledge by combining neuro-symbolic architectures with continual strategies does help avoid catastrophic forgetting, but also that doing so can yield models affected by reasoning shortcuts. These undermine the semantics of the acquired concepts, even when detailed prior knowledge is provided upfront and inference is exact, and in turn continual performance. To overcome these issues, we introduce COOL, a COncept-level cOntinual Learning strategy tailored for neuro-symbolic continual problems that acquires high-quality concepts and remembers them over time. Our experiments on three novel benchmarks highlights how COOL attains sustained high performance on neuro-symbolic continual learning tasks in which other strategies fail.

Federated analytics (FA) is a privacy-preserving framework for computing data analytics over multiple remote parties (e.g., mobile devices) or silo-ed institutional entities (e.g., hospitals, banks) without sharing the data among parties. Motivated by the practical use cases of federated analytics, we follow a systematic discussion on federated analytics in this article. In particular, we discuss the unique characteristics of federated analytics and how it differs from federated learning. We also explore a wide range of FA queries and discuss various existing solutions and potential use case applications for different FA queries.

There has been significant recent progress in training differentially private (DP) models which achieve accuracy that approaches the best non-private models. These DP models are typically pretrained on large public datasets and then fine-tuned on downstream datasets that are (i) relatively large, and (ii) similar in distribution to the pretraining data. However, in many applications including personalization, it is crucial to perform well in the few-shot setting, as obtaining large amounts of labeled data may be problematic; and on images from a wide variety of domains for use in various specialist settings. To understand under which conditions few-shot DP can be effective, we perform an exhaustive set of experiments that reveals how the accuracy and vulnerability to attack of few-shot DP image classification models are affected as the number of shots per class, privacy level, model architecture, dataset, and subset of learnable parameters in the model vary. We show that to achieve DP accuracy on par with non-private models, the shots per class must be increased as the privacy level increases by as much as 32$\times$ for CIFAR-100 at $\epsilon=1$. We also find that few-shot non-private models are highly susceptible to membership inference attacks. DP provides clear mitigation against the attacks, but a small $\epsilon$ is required to effectively prevent them. Finally, we evaluate DP federated learning systems and establish state-of-the-art performance on the challenging FLAIR federated learning benchmark.

In this work, we demonstrate how to reliably estimate epistemic uncertainty while maintaining the flexibility needed to capture complicated aleatoric distributions. To this end, we propose an ensemble of Normalizing Flows (NF), which are state-of-the-art in modeling aleatoric uncertainty. The ensembles are created via sets of fixed dropout masks, making them less expensive than creating separate NF models. We demonstrate how to leverage the unique structure of NFs, base distributions, to estimate aleatoric uncertainty without relying on samples, provide a comprehensive set of baselines, and derive unbiased estimates for differential entropy. The methods were applied to a variety of experiments, commonly used to benchmark aleatoric and epistemic uncertainty estimation: 1D sinusoidal data, 2D windy grid-world ($\it{Wet Chicken}$), $\it{Pendulum}$, and $\it{Hopper}$. In these experiments, we setup an active learning framework and evaluate each model's capability at measuring aleatoric and epistemic uncertainty. The results show the advantages of using NF ensembles in capturing complicated aleatoric while maintaining accurate epistemic uncertainty estimates.

The degradation in the underwater images is due to wavelength-dependent light attenuation, scattering, and to the diversity of the water types in which they are captured. Deep neural networks take a step in this field, providing autonomous models able to achieve the enhancement of underwater images. We introduce Underwater Capsules Vectors GAN UWCVGAN based on the discrete features quantization paradigm from VQGAN for this task. The proposed UWCVGAN combines an encoding network, which compresses the image into its latent representation, with a decoding network, able to reconstruct the enhancement of the image from the only latent representation. In contrast with VQGAN, UWCVGAN achieves feature quantization by exploiting the clusterization ability of capsule layer, making the model completely trainable and easier to manage. The model obtains enhanced underwater images with high quality and fine details. Moreover, the trained encoder is independent of the decoder giving the possibility to be embedded onto the collector as compressing algorithm to reduce the memory space required for the images, of factor $3\times$. \myUWCVGAN{ }is validated with quantitative and qualitative analysis on benchmark datasets, and we present metrics results compared with the state of the art.

The rapid ascent in carbon dioxide emissions is a major cause of global warming and climate change, which pose a huge threat to human survival and impose far-reaching influence on the global ecosystem. Therefore, it is very necessary to effectively control carbon dioxide emissions by accurately predicting and analyzing the change trend timely, so as to provide a reference for carbon dioxide emissions mitigation measures. This paper is aiming to select a suitable model to predict the near-real-time daily emissions based on univariate daily time-series data from January 1st, 2020 to September 30st, 2022 of all sectors (Power, Industry, Ground Transport, Residential, Domestic Aviation, International Aviation) in China. We proposed six prediction models, which including three statistical models: Grey prediction (GM(1,1)), autoregressive integrated moving average (ARIMA) and seasonal autoregressive integrated moving average with exogenous factors (SARIMAX); three machine learning models: artificial neural network (ANN), random forest (RF) and long short term memory (LSTM). To evaluate the performance of these models, five criteria: Mean Squared Error (MSE), Root Mean Squared Error (RMSE), Mean Absolute Error (MAE), Mean Absolute Percentage Error (MAPE) and Coefficient of Determination () are imported and discussed in detail. In the results, three machine learning models perform better than that three statistical models, in which LSTM model performs the best on five criteria values for daily emissions prediction with the 3.5179e-04 MSE value, 0.0187 RMSE value, 0.0140 MAE value, 14.8291% MAPE value and 0.9844 value.

The power output of a wind turbine depends on a variety of factors, including wind speed at different heights, wind direction, temperature and turbine properties. Wind speed and direction, in particular, have complex cycles and fluctuate dramatically, leading to large uncertainties in wind power output. This study uses variational mode decomposition (VMD) to decompose the wind power series and Temporal fusion transformer (TFT) to forecast wind power for the next 1h, 3h and 6h. The experimental results show that VMD outperforms other decomposition algorithms and the TFT model outperforms other decomposition models.

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where the equations of motion are integrated with timesteps on the order of femtoseconds ($1\textrm{fs}=10^{-15}\textrm{s}$). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed from scratch for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of $10^{5} - 10^{6}\:\textrm{fs}$. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids), exploring their metastable states and providing wall-clock acceleration when sampling compared to standard MD. Our method constitutes an important step towards developing general, transferable algorithms for accelerating MD.

Activity difference based learning algorithms-such as contrastive Hebbian learning and equilibrium propagation-have been proposed as biologically plausible alternatives to error back-propagation. However, on traditional digital chips these algorithms suffer from having to solve a costly inference problem twice, making these approaches more than two orders of magnitude slower than back-propagation. In the analog realm equilibrium propagation may be promising for fast and energy efficient learning, but states still need to be inferred and stored twice. Inspired by lifted neural networks and compartmental neuron models we propose a simple energy based compartmental neuron model, termed dual propagation, in which each neuron is a dyad with two intrinsic states. At inference time these intrinsic states encode the error/activity duality through their difference and their mean respectively. The advantage of this method is that only a single inference phase is needed and that inference can be solved in layerwise closed-form. Experimentally we show on common computer vision datasets, including Imagenet32x32, that dual propagation performs equivalently to back-propagation both in terms of accuracy and runtime.

This work provides a formalization of Knowledge Graphs (KGs) as a new class of graphs that we denote doubly exchangeable attributed graphs, where node and pairwise (joint 2-node) representations must be equivariant to permutations of both node ids and edge (& node) attributes (relations & node features). Double-permutation equivariant KG representations open a new research direction in KGs. We show that this equivariance imposes a structural representation of relations that allows neural networks to perform complex logical reasoning tasks in KGs. Finally, we introduce a general blueprint for such equivariant representations and test a simple GNN-based double-permutation equivariant neural architecture that achieve 100% Hits@10 test accuracy in both the WN18RRv1 and NELL995v1 inductive KG completion tasks, and can accurately perform logical reasoning tasks that no existing methods can perform, to the best of our knowledge.

This work proposes Fed-GLOSS-DP, a novel approach to privacy-preserving learning that uses synthetic data to train federated models. In our approach, the server recovers an approximation of the global loss landscape in a local neighborhood based on synthetic samples received from the clients. In contrast to previous, point-wise, gradient-based, linear approximation (such as FedAvg), our formulation enables a type of global optimization that is particularly beneficial in non-IID federated settings. We also present how it rigorously complements record-level differential privacy. Extensive results show that our novel formulation gives rise to considerable improvements in terms of convergence speed and communication costs. We argue that our new approach to federated learning can provide a potential path toward reconciling privacy and accountability by sending differentially private, synthetic data instead of gradient updates. The source code will be released upon publication.

The bandit paradigm provides a unified modeling framework for problems that require decision-making under uncertainty. Because many business metrics can be viewed as rewards (a.k.a. utilities) that result from actions, bandit algorithms have seen a large and growing interest from industrial applications, such as search, recommendation and advertising. Indeed, with the bandit lens comes the promise of direct optimisation for the metrics we care about. Nevertheless, the road to successfully applying bandits in production is not an easy one. Even when the action space and rewards are well-defined, practitioners still need to make decisions regarding multi-arm or contextual approaches, on- or off-policy setups, delayed or immediate feedback, myopic or long-term optimisation, etc. To make matters worse, industrial platforms typically give rise to large action spaces in which existing approaches tend to break down. The research literature on these topics is broad and vast, but this can overwhelm practitioners, whose primary aim is to solve practical problems, and therefore need to decide on a specific instantiation or approach for each project. This tutorial will take a step towards filling that gap between the theory and practice of bandits. Our goal is to present a unified overview of the field and its existing terminology, concepts and algorithms -- with a focus on problems relevant to industry. We hope our industrial perspective will help future practitioners who wish to leverage the bandit paradigm for their application.

We consider the problem of answering observational, interventional, and counterfactual queries in a causally sufficient setting where only observational data and the causal graph are available. Utilizing the recent developments in diffusion models, we introduce diffusion-based causal models (DCM) to learn causal mechanisms, that generate unique latent encodings to allow for direct sampling under interventions as well as abduction for counterfactuals. We utilize DCM to model structural equations, seeing that diffusion models serve as a natural candidate here since they encode each node to a latent representation, a proxy for the exogenous noise, and offer flexible and accurate modeling to provide reliable causal statements and estimates. Our empirical evaluations demonstrate significant improvements over existing state-of-the-art methods for answering causal queries. Our theoretical results provide a methodology for analyzing the counterfactual error for general encoder/decoder models which could be of independent interest.

By generating prediction intervals (PIs) to quantify the uncertainty of each prediction in deep learning regression, the risk of wrong predictions can be effectively controlled. High-quality PIs need to be as narrow as possible, whilst covering a preset proportion of real labels. At present, many approaches to improve the quality of PIs can effectively reduce the width of PIs, but they do not ensure that enough real labels are captured. Inductive Conformal Predictor (ICP) is an algorithm that can generate effective PIs which is theoretically guaranteed to cover a preset proportion of data. However, typically ICP is not directly optimized to yield minimal PI width. However, in this study, we use Directly Optimized Inductive Conformal Regression (DOICR) that takes only the average width of PIs as the loss function and increases the quality of PIs through an optimized scheme under the validity condition that sufficient real labels are captured in the PIs. Benchmark experiments show that DOICR outperforms current state-of-the-art algorithms for regression problems using underlying Deep Neural Network structures for both tabular and image data.

Understanding the extent to which the perceptual world can be recovered from language is a fundamental problem in cognitive science. We reformulate this problem as that of distilling psychophysical information from text and show how this can be done by combining large language models (LLMs) with a classic psychophysical method based on similarity judgments. Specifically, we use the prompt auto-completion functionality of GPT3, a state-of-the-art LLM, to elicit similarity scores between stimuli and then apply multidimensional scaling to uncover their underlying psychological space. We test our approach on six perceptual domains and show that the elicited judgments strongly correlate with human data and successfully recover well-known psychophysical structures such as the color wheel and pitch spiral. We also explore meaningful divergences between LLM and human representations. Our work showcases how combining state-of-the-art machine models with well-known cognitive paradigms can shed new light on fundamental questions in perception and language research.

Diffusion-based generative models have shown great potential for image synthesis, but there is a lack of research on the security and privacy risks they may pose. In this paper, we investigate the vulnerability of diffusion models to Membership Inference Attacks (MIAs), a common privacy concern. Our results indicate that existing MIAs designed for GANs or VAE are largely ineffective on diffusion models, either due to inapplicable scenarios (e.g., requiring the discriminator of GANs) or inappropriate assumptions (e.g., closer distances between synthetic images and member images). To address this gap, we propose Step-wise Error Comparing Membership Inference (SecMI), a black-box MIA that infers memberships by assessing the matching of forward process posterior estimation at each timestep. SecMI follows the common overfitting assumption in MIA where member samples normally have smaller estimation errors, compared with hold-out samples. We consider both the standard diffusion models, e.g., DDPM, and the text-to-image diffusion models, e.g., Stable Diffusion. Experimental results demonstrate that our methods precisely infer the membership with high confidence on both of the two scenarios across six different datasets

The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the fact that many variants of GANs were developed following this paradigm, the current theoretical understanding of GANs and their practical algorithms are inconsistent. In this paper, we leverage Wasserstein gradient flows which characterize the evolution of particles in the sample space, to gain theoretical insights and algorithmic inspiration of GANs. We introduce a unified generative modeling framework - MonoFlow: the particle evolution is rescaled via a monotonically increasing mapping of the log density ratio. Under our framework, adversarial training can be viewed as a procedure first obtaining MonoFlow's vector field via training the discriminator and the generator learns to draw the particle flow defined by the corresponding vector field. We also reveal the fundamental difference between variational divergence minimization and adversarial training. This analysis helps us to identify what types of generator loss functions can lead to the successful training of GANs and suggest that GANs may have more loss designs beyond the literature (e.g., non-saturated loss), as long as they realize MonoFlow. Consistent empirical studies are included to validate the effectiveness of our framework.

Simulations of large-scale dynamical systems require expensive computations. Low-dimensional parametrization of high-dimensional states such as Proper Orthogonal Decomposition (POD) can be a solution to lessen the burdens by providing a certain compromise between accuracy and model complexity. However, for really low-dimensional parametrizations (for example for controller design) linear methods like the POD come to their natural limits so that nonlinear approaches will be the methods of choice. In this work we propose a convolutional autoencoder (CAE) consisting of a nonlinear encoder and an affine linear decoder and consider combinations with k-means clustering for improved encoding performance. The proposed set of methods is compared to the standard POD approach in two cylinder-wake scenarios modeled by the incompressible Navier-Stokes equations.

Fast and efficient transport protocols are the foundation of an increasingly distributed world. The burden of continuously delivering improved communication performance to support next-generation applications and services, combined with the increasing heterogeneity of systems and network technologies, has promoted the design of Congestion Control (CC) algorithms that perform well under specific environments. The challenge of designing a generic CC algorithm that can adapt to a broad range of scenarios is still an open research question. To tackle this challenge, we propose to apply a novel Reinforcement Learning (RL) approach. Our solution, MARLIN, uses the Soft Actor-Critic algorithm to maximize both entropy and return and models the learning process as an infinite-horizon task. We trained MARLIN on a real network with varying background traffic patterns to overcome the sim-to-real mismatch that researchers have encountered when applying RL to CC. We evaluated our solution on the task of file transfer and compared it to TCP Cubic. While further research is required, results have shown that MARLIN can achieve comparable results to TCP with little hyperparameter tuning, in a task significantly different from its training setting. Therefore, we believe that our work represents a promising first step toward building CC algorithms based on the maximum entropy RL framework.

The evaluation of Deep Learning models has traditionally focused on criteria such as accuracy, F1 score, and related measures. The increasing availability of high computational power environments allows the creation of deeper and more complex models. However, the computations needed to train such models entail a large carbon footprint. In this work, we study the relations between DL model architectures and their environmental impact in terms of energy consumed and CO$_2$ emissions produced during training by means of an empirical study using Deep Convolutional Neural Networks. Concretely, we study: (i) the impact of the architecture and the location where the computations are hosted on the energy consumption and emissions produced; (ii) the trade-off between accuracy and energy efficiency; and (iii) the difference on the method of measurement of the energy consumed using software-based and hardware-based tools.

Deep lens optimization has recently emerged as a new paradigm for designing computational imaging systems, however it has been limited to either simple optical systems consisting of a single DOE or metalens, or the fine-tuning of compound lenses from good initial designs. Here we present a deep lens design method based on curriculum learning, which is able to learn optical designs of compound lenses ab initio from randomly initialized surfaces, therefore overcoming the need for a good initial design. We demonstrate this approach with the fully-automatic design of an extended depth-of-field computational camera in a cellphone-style form factor, highly aspherical surfaces, and a short back focal length.

Although very successfully used in machine learning, convolution based neural network architectures -- believed to be inconsistent in function space -- have been largely ignored in the context of learning solution operators of PDEs. Here, we adapt convolutional neural networks to demonstrate that they are indeed able to process functions as inputs and outputs. The resulting architecture, termed as convolutional neural operators (CNOs), is shown to significantly outperform competing models on benchmark experiments, paving the way for the design of an alternative robust and accurate framework for learning operators.

Online advertising platforms typically use auction mechanisms to allocate ad placements. Advertisers participate in a series of repeated auctions, and must select bids that will maximize their overall rewards while adhering to certain constraints. We focus on the scenario in which the advertiser has budget and return-on-investment (ROI) constraints. We investigate the problem of budget- and ROI-constrained bidding in repeated non-truthful auctions, such as first-price auctions, and present a best-of-both-worlds framework with no-regret guarantees under both stochastic and adversarial inputs. By utilizing the notion of interval regret, we demonstrate that our framework does not require knowledge of specific parameters of the problem which could be difficult to determine in practice. Our proof techniques can be applied to both the adversarial and stochastic cases with minimal modifications, thereby providing a unified perspective on the two problems. In the adversarial setting, we also show that it is possible to loosen the traditional requirement of having a strictly feasible solution to the offline optimization problem at each round.

Missing data is common in datasets retrieved in various areas, such as medicine, sports, and finance. In many cases, to enable proper and reliable analyses of such data, the missing values are often imputed, and it is necessary that the method used has a low root mean square error (RMSE) between the imputed and the true values. In addition, for some critical applications, it is also often a requirement that the logic behind the imputation is explainable, which is especially difficult for complex methods that are for example, based on deep learning. This motivates us to introduce a conditional Distribution based Imputation of Missing Values (DIMV) algorithm. This approach works based on finding the conditional distribution of a feature with missing entries based on the fully observed features. As will be illustrated in the paper, DIMV (i) gives a low RMSE for the imputed values compared to state-of-the-art methods under comparison; (ii) is explainable; (iii) can provide an approximated confidence region for the missing values in a given sample; (iv) works for both small and large scale data; (v) in many scenarios, does not require a huge number of parameters as deep learning approaches and therefore can be used for mobile devices or web browsers; and (vi) is robust to the normally distributed assumption that its theoretical grounds rely on. In addition to DIMV, we also introduce the DPER* algorithm improving the speed of DPER for estimating the mean and covariance matrix from the data, and we confirm the speed-up via experiments.

We consider online scheduling on unrelated (heterogeneous) machines in a speed-oblivious setting, where an algorithm is unaware of the exact job-dependent processing speeds. We show strong impossibility results for clairvoyant and non-clairvoyant algorithms and overcome them in models inspired by practical settings: (i) we provide competitive learning-augmented algorithms, assuming that (possibly erroneous) predictions on the speeds are given, and (ii) we provide competitive algorithms for the speed-ordered model, where a single global order of machines according to their unknown job-dependent speeds is known. We prove strong theoretical guarantees and evaluate our findings on a representative heterogeneous multi-core processor. These seem to be the first empirical results for algorithms with predictions that are performed in a non-synthetic environment on real hardware.

RL is increasingly being used to control robotic systems that interact closely with humans. This interaction raises the problem of safe RL: how to ensure that a RL-controlled robotic system never, for instance, injures a human. This problem is especially challenging in rich, realistic settings where it is not even possible to clearly write down a reward function which incorporates these outcomes. In these circumstances, perhaps the only viable approach is based on IRL, which infers rewards from human demonstrations. However, IRL is massively underdetermined as many different rewards can lead to the same optimal policies; we show that this makes it difficult to distinguish catastrophic outcomes (such as injuring a human) from merely undesirable outcomes. Our key insight is that humans do display different behaviour when catastrophic outcomes are possible: they become much more careful. We incorporate carefulness signals into IRL, and find that they do indeed allow IRL to disambiguate undesirable from catastrophic outcomes, which is critical to ensuring safety in future real-world human-robot interactions.

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent years, GNN-based models for temporal graphs have emerged as a promising area of research to extend the capabilities of GNNs. In this work, we provide the first comprehensive overview of the current state-of-the-art of temporal GNN, introducing a rigorous formalization of learning settings and tasks and a novel taxonomy categorizing existing approaches in terms of how the temporal aspect is represented and processed. We conclude the survey with a discussion of the most relevant open challenges for the field, from both research and application perspectives.

This work aims to assess how well a model performs under distribution shifts without using labels. While recent methods study prediction confidence, this work reports prediction dispersity is another informative cue. Confidence reflects whether the individual prediction is certain; dispersity indicates how the overall predictions are distributed across all categories. Our key insight is that a well-performing model should give predictions with high confidence and high dispersity. That is, we need to consider both properties so as to make more accurate estimates. To this end, we use the nuclear norm that has been shown to be effective in characterizing both properties. Extensive experiments validate the effectiveness of nuclear norm for various models (e.g., ViT and ConvNeXt), different datasets (e.g., ImageNet and CUB-200), and diverse types of distribution shifts (e.g., style shift and reproduction shift). We show that the nuclear norm is more accurate and robust in accuracy estimation than existing methods. Furthermore, we validate the feasibility of other measurements (e.g., mutual information maximization) for characterizing dispersity and confidence. Lastly, we investigate the limitation of the nuclear norm, study its improved variant under severe class imbalance, and discuss potential directions.

Dynamic graphs are rich data structures that are used to model complex relationships between entities over time. In particular, anomaly detection in temporal graphs is crucial for many real world applications such as intrusion identification in network systems, detection of ecosystem disturbances and detection of epidemic outbreaks. In this paper, we focus on change point detection in dynamic graphs and address three main challenges associated with this problem: i). how to compare graph snapshots across time, ii). how to capture temporal dependencies, and iii). how to combine different views of a temporal graph. To solve the above challenges, we first propose Laplacian Anomaly Detection (LAD) which uses the spectrum of graph Laplacian as the low dimensional embedding of the graph structure at each snapshot. LAD explicitly models short term and long term dependencies by applying two sliding windows. Next, we propose MultiLAD, a simple and effective generalization of LAD to multi-view graphs. MultiLAD provides the first change point detection method for multi-view dynamic graphs. It aggregates the singular values of the normalized graph Laplacian from different views through the scalar power mean operation. Through extensive synthetic experiments, we show that i). LAD and MultiLAD are accurate and outperforms state-of-the-art baselines and their multi-view extensions by a large margin, ii). MultiLAD's advantage over contenders significantly increases when additional views are available, and iii). MultiLAD is highly robust to noise from individual views. In five real world dynamic graphs, we demonstrate that LAD and MultiLAD identify significant events as top anomalies such as the implementation of government COVID-19 interventions which impacted the population mobility in multi-view traffic networks.

Curriculum learning is a learning method that trains models in a meaningful order from easier to harder samples. A key here is to devise automatic and objective difficulty measures of samples. In the medical domain, previous work applied domain knowledge from human experts to qualitatively assess classification difficulty of medical images to guide curriculum learning, which requires extra annotation efforts, relies on subjective human experience, and may introduce bias. In this work, we propose a new automated curriculum learning technique using the variance of gradients (VoG) to compute an objective difficulty measure of samples and evaluated its effects on elbow fracture classification from X-ray images. Specifically, we used VoG as a metric to rank each sample in terms of the classification difficulty, where high VoG scores indicate more difficult cases for classification, to guide the curriculum training process We compared the proposed technique to a baseline (without curriculum learning), a previous method that used human annotations on classification difficulty, and anti-curriculum learning. Our experiment results showed comparable and higher performance for the binary and multi-class bone fracture classification tasks.

Concept Bottleneck Models (CBMs) map the inputs onto a set of interpretable concepts (``the bottleneck'') and use the concepts to make predictions. A concept bottleneck enhances interpretability since it can be investigated to understand what concepts the model "sees" in an input and which of these concepts are deemed important. However, CBMs are restrictive in practice as they require dense concept annotations in the training data to learn the bottleneck. Moreover, CBMs often do not match the accuracy of an unrestricted neural network, reducing the incentive to deploy them in practice. In this work, we address these limitations of CBMs by introducing Post-hoc Concept Bottleneck models (PCBMs). We show that we can turn any neural network into a PCBM without sacrificing model performance while still retaining the interpretability benefits. When concept annotations are not available on the training data, we show that PCBM can transfer concepts from other datasets or from natural language descriptions of concepts via multimodal models. A key benefit of PCBM is that it enables users to quickly debug and update the model to reduce spurious correlations and improve generalization to new distributions. PCBM allows for global model edits, which can be more efficient than previous works on local interventions that fix a specific prediction. Through a model-editing user study, we show that editing PCBMs via concept-level feedback can provide significant performance gains without using data from the target domain or model retraining.

Business Knowledge Graphs (KGs) are important to many enterprises today, providing factual knowledge and structured data that steer many products and make them more intelligent. Despite their promising benefits, building business KG necessitates solving prohibitive issues of deficient structure and multiple modalities. In this paper, we advance the understanding of the practical challenges related to building KG in non-trivial real-world systems. We introduce the process of building an open business knowledge graph (OpenBG) derived from a well-known enterprise, Alibaba Group. Specifically, we define a core ontology to cover various abstract products and consumption demands, with fine-grained taxonomy and multimodal facts in deployed applications. OpenBG is an open business KG of unprecedented scale: 2.6 billion triples with more than 88 million entities covering over 1 million core classes/concepts and 2,681 types of relations. We release all the open resources (OpenBG benchmarks) derived from it for the community and report experimental results of KG-centric tasks. We also run up an online competition based on OpenBG benchmarks, and has attracted thousands of teams. We further pre-train OpenBG and apply it to many KG- enhanced downstream tasks in business scenarios, demonstrating the effectiveness of billion-scale multimodal knowledge for e-commerce. All the resources with codes have been released at \url{https://github.com/OpenBGBenchmark/OpenBG}.

We consider an online two-stage stochastic optimization with long-term constraints over a finite horizon of $T$ periods. At each period, we take the first-stage action, observe a model parameter realization and then take the second-stage action from a feasible set that depends both on the first-stage decision and the model parameter. We aim to minimize the cumulative objective value while guaranteeing that the long-term average second-stage decision belongs to a set. We propose a general algorithmic framework that derives online algorithms for the online two-stage problem from adversarial learning algorithms. Also, the regret bound of our algorithm cam be reduced to the regret bound of embedded adversarial learning algorithms. Based on our framework, we obtain new results under various settings. When the model parameter at each period is drawn from identical distributions, we derive state-of-art regret bound that improves previous bounds under special cases. Our algorithm is also robust to adversarial corruptions of model parameter realizations. When the model parameters are drawn from unknown non-stationary distributions and we are given prior estimates of the distributions, we develop a new algorithm from our framework with a regret $O(W_T+\sqrt{T})$, where $W_T$ measures the total inaccuracy of the prior estimates.

We discover restrained numerical instabilities in current training practices of deep networks with stochastic gradient descent (SGD). We show numerical error (on the order of the smallest floating point bit) induced from floating point arithmetic in training deep nets can be amplified significantly and result in significant test accuracy variance, comparable to the test accuracy variance due to stochasticity in SGD. We show how this is likely traced to instabilities of the optimization dynamics that are restrained, i.e., localized over iterations and regions of the weight tensor space. We do this by presenting a theoretical framework using numerical analysis of partial differential equations (PDE), and analyzing the gradient descent PDE of convolutional neural networks (CNNs). We show that it is stable only under certain conditions on the learning rate and weight decay. We show that rather than blowing up when the conditions are violated, the instability can be restrained. We show this is a consequence of the non-linear PDE associated with the gradient descent of the CNN, whose local linearization changes when over-driving the step size of the discretization, resulting in a stabilizing effect. We link restrained instabilities to the recently discovered Edge of Stability (EoS) phenomena, in which the stable step size predicted by classical theory is exceeded while continuing to optimize the loss and still converging. Because restrained instabilities occur at the EoS, our theory provides new predictions about the EoS, in particular, the role of regularization and the dependence on the network complexity.

We introduce prediction-powered inference $\unicode{x2013}$ a framework for performing valid statistical inference when an experimental data set is supplemented with predictions from a machine-learning system. Our framework yields provably valid conclusions without making any assumptions on the machine-learning algorithm that supplies the predictions. Higher accuracy of the predictions translates to smaller confidence intervals, permitting more powerful inference. Prediction-powered inference yields simple algorithms for computing valid confidence intervals for statistical objects such as means, quantiles, and linear and logistic regression coefficients. We demonstrate the benefits of prediction-powered inference with data sets from proteomics, genomics, electronic voting, remote sensing, census analysis, and ecology.

Generative Adversarial Networks (GANs) are capable of synthesizing high-quality facial images. Despite their success, GANs do not provide any information about the relationship between the input vectors and the generated images. Currently, facial GANs are trained on imbalanced datasets, which generate less diverse images. For example, more than 77% of 100K images that we randomly synthesized using the StyleGAN3 are classified as Happy, and only around 3% are Angry. The problem even becomes worse when a mixture of facial attributes is desired: less than 1% of the generated samples are Angry Woman, and only around 2% are Happy Black. To address these problems, this paper proposes a framework, called GANalyzer, for the analysis, and manipulation of the latent space of well-trained GANs. GANalyzer consists of a set of transformation functions designed to manipulate latent vectors for a specific facial attribute such as facial Expression, Age, Gender, and Race. We analyze facial attribute entanglement in the latent space of GANs and apply the proposed transformation for editing the disentangled facial attributes. Our experimental results demonstrate the strength of GANalyzer in editing facial attributes and generating any desired faces. We also create and release a balanced photo-realistic human face dataset. Our code is publicly available on GitHub.

Predictor-based Neural Architecture Search (NAS) employs an architecture performance predictor to improve the sample efficiency. However, predictor-based NAS suffers from the severe ``cold-start'' problem, since a large amount of architecture-performance data is required to get a working predictor. In this paper, we focus on exploiting information in cheaper-to-obtain performance estimations (i.e., low-fidelity information) to mitigate the large data requirements of predictor training. Despite the intuitiveness of this idea, we observe that using inappropriate low-fidelity information even damages the prediction ability and different search spaces have different preferences for low-fidelity information types. To solve the problem and better fuse beneficial information provided by different types of low-fidelity information, we propose a novel dynamic ensemble predictor framework that comprises two steps. In the first step, we train different sub-predictors on different types of available low-fidelity information to extract beneficial knowledge as low-fidelity experts. In the second step, we learn a gating network to dynamically output a set of weighting coefficients conditioned on each input neural architecture, which will be used to combine the predictions of different low-fidelity experts in a weighted sum. The overall predictor is optimized on a small set of actual architecture-performance data to fuse the knowledge from different low-fidelity experts to make the final prediction. We conduct extensive experiments across five search spaces with different architecture encoders under various experimental settings. Our method can easily be incorporated into existing predictor-based NAS frameworks to discover better architectures.

Polyp segmentation within colonoscopy video frames using deep learning models has the potential to automate the workflow of clinicians. This could help improve the early detection rate and characterization of polyps which could progress to colorectal cancer. Recent state-of-the-art deep learning polyp segmentation models have combined the outputs of Fully Convolutional Network architectures and Transformer Network architectures which work in parallel. In this paper we propose modifications to the current state-of-the-art polyp segmentation model FCBFormer. The transformer architecture of the FCBFormer is replaced with a SwinV2 Transformer-UNET and minor changes to the Fully Convolutional Network architecture are made to create the FCB-SwinV2 Transformer. The performance of the FCB-SwinV2 Transformer is evaluated on the popular colonoscopy segmentation bench-marking datasets Kvasir-SEG and CVC-ClinicDB. Generalizability tests are also conducted. The FCB-SwinV2 Transformer is able to consistently achieve higher mDice scores across all tests conducted and therefore represents new state-of-the-art performance. Issues found with how colonoscopy segmentation model performance is evaluated within literature are also re-ported and discussed. One of the most important issues identified is that when evaluating performance on the CVC-ClinicDB dataset it would be preferable to ensure no data leakage from video sequences occurs during the training/validation/test data partition.

We provide a theoretical justification for sample recovery using diffusion based image inpainting in a linear model setting. While most inpainting algorithms require retraining with each new mask, we prove that diffusion based inpainting generalizes well to unseen masks without retraining. We analyze a recently proposed popular diffusion based inpainting algorithm called RePaint (Lugmayr et al., 2022), and show that it has a bias due to misalignment that hampers sample recovery even in a two-state diffusion process. Motivated by our analysis, we propose a modified RePaint algorithm we call RePaint$^+$ that provably recovers the underlying true sample and enjoys a linear rate of convergence. It achieves this by rectifying the misalignment error present in drift and dispersion of the reverse process. To the best of our knowledge, this is the first linear convergence result for a diffusion based image inpainting algorithm.

Nonlinear dynamics is ubiquitous in nature and commonly seen in various science and engineering disciplines. Distilling analytical expressions that govern nonlinear dynamics from limited data remains vital but challenging. To tackle this fundamental issue, we propose a novel Symbolic Physics Learner (SPL) machine to discover the mathematical structure of nonlinear dynamics. The key concept is to interpret mathematical operations and system state variables by computational rules and symbols, establish symbolic reasoning of mathematical formulas via expression trees, and employ a Monte Carlo tree search (MCTS) agent to explore optimal expression trees based on measurement data. The MCTS agent obtains an optimistic selection policy through the traversal of expression trees, featuring the one that maps to the arithmetic expression of underlying physics. Salient features of the proposed framework include search flexibility and enforcement of parsimony for discovered equations. The efficacy and superiority of the SPL machine are demonstrated by numerical examples, compared with state-of-the-art baselines.

Safety goes first. Meeting and maintaining industry safety standards for robustness of artificial intelligence (AI) and machine learning (ML) models require continuous monitoring for faults and performance drops. Deep learning models are widely used in industrial applications, e.g., computer vision, but the susceptibility of their performance to environment changes (e.g., noise) \emph{after deployment} on the product, are now well-known. A major challenge is detecting data distribution shifts that happen, comparing the following: {\bf (i)} development stage of AI and ML models, i.e., train/validation/test, to {\bf (ii)} deployment stage on the product (i.e., even after `testing') in the environment. We focus on a computer vision example related to autonomous driving and aim at detecting shifts that occur as a result of adding noise to images. We use the population stability index (PSI) as a measure of presence and intensity of shift and present results of our empirical experiments showing a promising potential for the PSI. We further discuss multiple aspects of model monitoring and robustness that need to be analyzed \emph{simultaneously} to achieve robustness for industry safety standards. We propose the need for and the research direction toward \emph{categorizations} of problem classes and examples where monitoring for robustness is required and present challenges and pointers for future work from a \emph{practical} perspective.

We present two new classes of algorithms for efficient field integration on graphs encoding point clouds. The first class, SeparatorFactorization(SF), leverages the bounded genus of point cloud mesh graphs, while the second class, RFDiffusion(RFD), uses popular epsilon-nearest-neighbor graph representations for point clouds. Both can be viewed as providing the functionality of Fast Multipole Methods (FMMs), which have had a tremendous impact on efficient integration, but for non-Euclidean spaces. We focus on geometries induced by distributions of walk lengths between points (e.g., shortest-path distance). We provide an extensive theoretical analysis of our algorithms, obtaining new results in structural graph theory as a byproduct. We also perform exhaustive empirical evaluation, including on-surface interpolation for rigid and deformable objects (particularly for mesh-dynamics modeling), Wasserstein distance computations for point clouds, and the Gromov-Wasserstein variant.

Obesity is a common issue in modern societies today that can lead to various diseases and significantly reduced quality of life. Currently, research has been conducted to investigate resting state EEG (electroencephalogram) signals with an aim to identify possible neurological characteristics associated with obesity. In this study, we propose a deep learning-based framework to extract the resting state EEG features for obese and lean subject classification. Specifically, a novel variational autoencoder framework is employed to extract subject-invariant features from the raw EEG signals, which are then classified by a 1-D convolutional neural network. Comparing with conventional machine learning and deep learning methods, we demonstrate the superiority of using VAE for feature extraction, as reflected by the significantly improved classification accuracies, better visualizations and reduced impurity measures in the feature representations. Future work can be directed to gaining an in-depth understanding regarding the spatial patterns that have been learned by the proposed model from a neurological view, as well as improving the interpretability of the proposed model by allowing it to uncover any temporal-related information.

Objective: Reflex testing protocols allow clinical laboratories to perform second line diagnostic tests on existing specimens based on the results of initially ordered tests. Reflex testing can support optimal clinical laboratory test ordering and diagnosis. In current clinical practice, reflex testing typically relies on simple "if-then" rules; however, this limits their scope since most test ordering decisions involve more complexity than a simple rule will allow. Here, using the analyte ferritin as an example, we propose an alternative machine learning-based approach to "smart" reflex testing with a wider scope and greater impact than traditional rule-based approaches. Methods: Using patient data, we developed a machine learning model to predict whether a patient getting CBC testing will also have ferritin testing ordered, consider applications of this model to "smart" reflex testing, and evaluate the model by comparing its performance to possible rule-based approaches. Results: Our underlying machine learning models performed moderately well in predicting ferritin test ordering and demonstrated greater suitability to reflex testing than rule-based approaches. Using chart review, we demonstrate that our model may improve ferritin test ordering. Finally, as a secondary goal, we demonstrate that ferritin test results are missing not at random (MNAR), a finding with implications for unbiased imputation of missing test results. Conclusions: Machine learning may provide a foundation for new types of reflex testing with enhanced benefits for clinical diagnosis and laboratory utilization management.

We consider the optimisation of large and shallow neural networks via gradient flow, where the output of each hidden node is scaled by some positive parameter. We focus on the case where the node scalings are non-identical, differing from the classical Neural Tangent Kernel (NTK) parameterisation. We prove that, for large neural networks, with high probability, gradient flow converges to a global minimum AND can learn features, unlike in the NTK regime. We also provide experiments on synthetic and real-world datasets illustrating our theoretical results and showing the benefit of such scaling in terms of pruning and transfer learning.

Plant biomass estimation is critical due to the variability of different environmental factors and crop management practices associated with it. The assessment is largely impacted by the accurate prediction of different environmental sustainability indicators. A robust model to predict sustainability indicators is a must for the biomass community. This study proposes a robust model for biomass sustainability prediction by analyzing sustainability indicators using machine learning models. The prospect of ensemble learning was also investigated to analyze the regression problem. All experiments were carried out on a crop residue data from the Ohio state. Ten machine learning models, namely, linear regression, ridge regression, multilayer perceptron, k-nearest neighbors, support vector machine, decision tree, gradient boosting, random forest, stacking and voting, were analyzed to estimate three biomass sustainability indicators, namely soil erosion factor, soil conditioning index, and organic matter factor. The performance of the model was assessed using cross-correlation (R2), root mean squared error and mean absolute error metrics. The results showed that Random Forest was the best performing model to assess sustainability indicators. The analyzed model can now serve as a guide for assessing sustainability indicators in real time.

Understanding the accuracy limits of machine learning algorithms is essential for data scientists to properly measure performance so they can continually improve their models' predictive capabilities. This study empirically verified the error bound of the AdaBoost algorithm for both synthetic and real-world data. The results show that the error bound holds up in practice, demonstrating its efficiency and importance to a variety of applications. The corresponding source code is available at https://github.com/armanbolatov/adaboost_error_bound.

We propose a new generalization of neural networks with noncommutative $C^*$-algebra. An important feature of $C^*$-algebras is their noncommutative structure of products, but the existing $C^*$-algebra net frameworks have only considered commutative $C^*$-algebras. We show that this noncommutative structure of $C^*$-algebras induces powerful effects in learning neural networks. Our framework has a wide range of applications, such as learning multiple related neural networks simultaneously with interactions and learning invariant features with respect to group actions. We also show the validity of our framework numerically, which illustrates its potential power.  ( 2 min )

Reasoning in a complex and ambiguous environment is a key goal for Reinforcement Learning (RL) agents. While some sophisticated RL agents can successfully solve difficult tasks, they require a large amount of training data and often struggle to generalize to new unseen environments and new tasks. On the other hand, Large Scale Language Models (LSLMs) have exhibited strong reasoning ability and the ability to to adapt to new tasks through in-context learning. However, LSLMs do not inherently have the ability to interrogate or intervene on the environment. In this work, we investigate how to combine these complementary abilities in a single system consisting of three parts: a Planner, an Actor, and a Reporter. The Planner is a pre-trained language model that can issue commands to a simple embodied agent (the Actor), while the Reporter communicates with the Planner to inform its next command. We present a set of tasks that require reasoning, test this system's ability to generalize zero-shot and investigate failure cases, and demonstrate how components of this system can be trained with reinforcement-learning to improve performance.

Molecular dynamic simulations are important in computational physics, chemistry, material, and biology. Machine learning-based methods have shown strong abilities in predicting molecular energy and properties and are much faster than DFT calculations. Molecular energy is at least related to atoms, bonds, bond angles, torsion angles, and nonbonding atom pairs. Previous Transformer models only use atoms as inputs which lack explicit modeling of the aforementioned factors. To alleviate this limitation, we propose Moleformer, a novel Transformer architecture that takes nodes (atoms) and edges (bonds and nonbonding atom pairs) as inputs and models the interactions among them using rotational and translational invariant geometry-aware spatial encoding. Proposed spatial encoding calculates relative position information including distances and angles among nodes and edges. We benchmark Moleformer on OC20 and QM9 datasets, and our model achieves state-of-the-art on the initial state to relaxed energy prediction of OC20 and is very competitive in QM9 on predicting quantum chemical properties compared to other Transformer and Graph Neural Network (GNN) methods which proves the effectiveness of the proposed geometry-aware spatial encoding in Moleformer.

The problem of efficient approximation of a linear operator induced by the Gaussian or softmax kernel is often addressed using random features (RFs) which yield an unbiased approximation of the operator's result. Such operators emerge in important applications ranging from kernel methods to efficient Transformers. We propose parameterized, positive, non-trigonometric RFs which approximate Gaussian and softmax-kernels. In contrast to traditional RF approximations, parameters of these new methods can be optimized to reduce the variance of the approximation, and the optimum can be expressed in closed form. We show that our methods lead to variance reduction in practice ($e^{10}$-times smaller variance and beyond) and outperform previous methods in a kernel regression task. Using our proposed mechanism, we also present FAVOR#, a method for self-attention approximation in Transformers. We show that FAVOR# outperforms other random feature methods in speech modelling and natural language processing.

An emerging line of work has shown that machine-learned predictions are useful to warm-start algorithms for discrete optimization problems, such as bipartite matching. Previous studies have shown time complexity bounds proportional to some distance between a prediction and an optimal solution, which we can approximately minimize by learning predictions from past optimal solutions. However, such guarantees may not be meaningful when multiple optimal solutions exist. Indeed, the dual problem of bipartite matching and, more generally, $\text{L}$-/$\text{L}^\natural$-convex function minimization have arbitrarily many optimal solutions, making such prediction-dependent bounds arbitrarily large. To resolve this theoretically critical issue, we present a new warm-start-with-prediction framework for $\text{L}$-/$\text{L}^\natural$-convex function minimization. Our framework offers time complexity bounds proportional to the distance between a prediction and the set of all optimal solutions. The main technical difficulty lies in learning predictions that are provably close to sets of all optimal solutions, for which we present an online-gradient-descent-based method. We thus give the first polynomial-time learnability of predictions that can provably warm-start algorithms regardless of multiple optimal solutions.

Training complex machine learning (ML) architectures requires a compute and time consuming process of selecting the right optimizer and tuning its hyper-parameters. A new paradigm of learning optimizers from data has emerged as a better alternative to hand-designed ML optimizers. We propose Mnemosyne optimizer, that uses Performers: implicit low-rank attention Transformers. It can learn to train entire neural network architectures including other Transformers without any task-specific optimizer tuning. We show that Mnemosyne: (a) generalizes better than popular LSTM optimizer, (b) in particular can successfully train Vision Transformers (ViTs) while meta--trained on standard MLPs and (c) can initialize optimizers for faster convergence in Robotics applications. We believe that these results open the possibility of using Transformers to build foundational optimization models that can address the challenges of regular Transformer training. We complement our results with an extensive theoretical analysis of the compact associative memory used by Mnemosyne.  ( 2 min )

Current state-of-the-art causal models for link prediction assume an underlying set of inherent node factors -- an innate characteristic defined at the node's birth -- that governs the causal evolution of links in the graph. In some causal tasks, however, link formation is path-dependent, i.e., the outcome of link interventions depends on existing links. For instance, in the customer-product graph of an online retailer, the effect of an 85-inch TV ad (treatment) likely depends on whether the costumer already has an 85-inch TV. Unfortunately, existing causal methods are impractical in these scenarios. The cascading functional dependencies between links (due to path dependence) are either unidentifiable or require an impractical number of control variables. In order to remedy this shortcoming, this work develops the first causal model capable of dealing with path dependencies in link prediction. It introduces the concept of causal lifting, an invariance in causal models that, when satisfied, allows the identification of causal link prediction queries using limited interventional data. On the estimation side, we show how structural pairwise embeddings -- a type of symmetry-based joint representation of node pairs in a graph -- exhibit lower bias and correctly represent the causal structure of the task, as opposed to existing node embedding methods, e.g., GNNs and matrix factorization. Finally, we validate our theoretical findings on four datasets under three different scenarios for causal link prediction tasks: knowledge base completion, covariance matrix estimation and consumer-product recommendations.  ( 2 min )

De novo molecular generation is an essential task for science discovery. Recently, fragment-based deep generative models have attracted much research attention due to their flexibility in generating novel molecules based on existing molecule fragments. However, the motif vocabulary, i.e., the collection of frequent fragments, is usually built upon heuristic rules, which brings difficulties to capturing common substructures from large amounts of molecules. In this work, we propose a new method, MiCaM, to generate molecules based on mined connection-aware motifs. Specifically, it leverages a data-driven algorithm to automatically discover motifs from a molecule library by iteratively merging subgraphs based on their frequency. The obtained motif vocabulary consists of not only molecular motifs (i.e., the frequent fragments), but also their connection information, indicating how the motifs are connected with each other. Based on the mined connection-aware motifs, MiCaM builds a connection-aware generator, which simultaneously picks up motifs and determines how they are connected. We test our method on distribution-learning benchmarks (i.e., generating novel molecules to resemble the distribution of a given training set) and goal-directed benchmarks (i.e., generating molecules with target properties), and achieve significant improvements over previous fragment-based baselines. Furthermore, we demonstrate that our method can effectively mine domain-specific motifs for different tasks.  ( 2 min )

In realistic compressed sensing (CS) scenarios, the obtained measurements usually have to be quantized to a finite number of bits before transmission and/or storage, thus posing a challenge in recovery, especially for extremely coarse quantization such as 1-bit sign measurements. Recently Meng & Kabashima proposed an efficient quantized compressed sensing algorithm called QCS-SGM using the score-based generative models as an implicit prior. Thanks to the power of score-based generative models in capturing the rich structure of the prior, QCS-SGM achieves remarkably better performances than previous quantized CS methods. However, QCS-SGM is restricted to (approximately) row-orthogonal sensing matrices since otherwise the likelihood score becomes intractable. To address this challenging problem, in this paper we propose an improved version of QCS-SGM, which we call QCS-SGM+, which also works well for general matrices. The key idea is a Bayesian inference perspective of the likelihood score computation, whereby an expectation propagation algorithm is proposed to approximately compute the likelihood score. Experiments on a variety of baseline datasets demonstrate that the proposed QCS-SGM+ outperforms QCS-SGM by a large margin when sensing matrices are far from row-orthogonal.

This study used a multigrid-based convolutional neural network architecture known as MgNet in operator learning to solve numerical partial differential equations (PDEs). Given the property of smoothing iterations in multigrid methods where low-frequency errors decay slowly, we introduced a low-frequency correction structure for residuals to enhance the standard V-cycle MgNet. The enhanced MgNet model can capture the low-frequency features of solutions considerably better than the standard V-cycle MgNet. The numerical results obtained using some standard operator learning tasks are better than those obtained using many state-of-the-art methods, demonstrating the efficiency of our model.Moreover, numerically, our new model is more robust in case of low- and high-resolution data during training and testing, respectively.

We study the interpolation, or memorization, power of deep ReLU neural networks. Specifically, we consider the question of how efficiently, in terms of the number of parameters, deep ReLU networks can interpolate values at $N$ datapoints in the unit ball which are separated by a distance $\delta$. We show that $\Omega(N)$ parameters are required in the regime where $\delta$ is exponentially small in $N$, which gives the sharp result in this regime since $O(N)$ parameters are always sufficient. This also shows that the bit-extraction technique used to prove lower bounds on the VC dimension cannot be applied to irregularly spaced datapoints.

Recent progress in scaling up large language models has shown impressive capabilities in performing few-shot learning across a wide range of text-based tasks. However, a key limitation is that these language models fundamentally lack visual perception - a crucial attribute needed to extend these models to be able to interact with the real world and solve vision tasks, such as in visual-question answering and robotics. Prior works have largely connected image to text through pretraining and/or fine-tuning on curated image-text datasets, which can be a costly and expensive process. In order to resolve this limitation, we propose a simple yet effective approach called Language-Quantized AutoEncoder (LQAE), a modification of VQ-VAE that learns to align text-image data in an unsupervised manner by leveraging pretrained language models (e.g., BERT, RoBERTa). Our main idea is to encode image as sequences of text tokens by directly quantizing image embeddings using a pretrained language codebook. We then apply random masking followed by a BERT model, and have the decoder reconstruct the original image from BERT predicted text token embeddings. By doing so, LQAE learns to represent similar images with similar clusters of text tokens, thereby aligning these two modalities without the use of aligned text-image pairs. This enables few-shot image classification with large language models (e.g., GPT-3) as well as linear classification of images based on BERT text features. To the best of our knowledge, our work is the first work that uses unaligned images for multimodal tasks by leveraging the power of pretrained language models.

Out-of-distribution (OOD) generalization, where the model needs to handle distribution shifts from training, is a major challenge of machine learning. Recently, contrastive language-image pre-training (CLIP) models have shown impressive zero-shot ability, revealing a promising path toward OOD generalization. However, to boost upon zero-shot performance, further adaptation of CLIP on downstream tasks is indispensable but undesirably degrades OOD generalization ability. In this paper, we aim at generalizing CLIP to out-of-distribution test data on downstream tasks. Beyond the two canonical OOD situations, domain shift and open class, we tackle a more general but difficult in-the-wild setting where both OOD situations may occur on the unseen test data. We propose CLIPood, a simple fine-tuning method that can adapt CLIP models to all OOD situations. To exploit semantic relations between classes from the text modality, CLIPood introduces a new training objective, margin metric softmax (MMS), with class adaptive margins for fine-tuning. Moreover, to incorporate both the pre-trained zero-shot model and the fine-tuned task-adaptive model, CLIPood proposes a new Beta moving average (BMA) to maintain a temporal ensemble according to Beta distribution. Experiments on diverse datasets with different OOD scenarios show that CLIPood consistently outperforms existing generalization techniques.

Enabling resilient autonomous motion planning requires robust predictions of surrounding road users' future behavior. In response to this need and the associated challenges, we introduce our model, titled MTP-GO. The model encodes the scene using temporal graph neural networks to produce the inputs to an underlying motion model. The motion model is implemented using neural ordinary differential equations where the state-transition functions are learned with the rest of the model. Multi-modal probabilistic predictions are provided by combining the concept of mixture density networks and Kalman filtering. The results illustrate the predictive capabilities of the proposed model across various data sets, outperforming several state-of-the-art methods on a number of metrics.  ( 2 min )

The message passing-based graph neural networks (GNNs) have achieved great success in many real-world applications. However, training GNNs on large-scale graphs suffers from the well-known neighbor explosion problem, i.e., the exponentially increasing dependencies of nodes with the number of message passing layers. Subgraph-wise sampling methods -- a promising class of mini-batch training techniques -- discard messages outside the mini-batches in backward passes to avoid the neighbor explosion problem at the expense of gradient estimation accuracy. This poses significant challenges to their convergence analysis and convergence speeds, which seriously limits their reliable real-world applications. To address this challenge, we propose a novel subgraph-wise sampling method with a convergence guarantee, namely Local Message Compensation (LMC). To the best of our knowledge, LMC is the {\it first} subgraph-wise sampling method with provable convergence. The key idea of LMC is to retrieve the discarded messages in backward passes based on a message passing formulation of backward passes. By efficient and effective compensations for the discarded messages in both forward and backward passes, LMC computes accurate mini-batch gradients and thus accelerates convergence. We further show that LMC converges to first-order stationary points of GNNs. Experiments on large-scale benchmark tasks demonstrate that LMC significantly outperforms state-of-the-art subgraph-wise sampling methods in terms of efficiency.  ( 2 min )

It is well known that the finite step-size ($h$) in Gradient Descent (GD) implicitly regularizes solutions to flatter minima. A natural question to ask is "Does the momentum parameter $\beta$ play a role in implicit regularization in Heavy-ball (H.B) momentum accelerated gradient descent (GD+M)?". To answer this question, first, we show that the discrete H.B momentum update (GD+M) follows a continuous trajectory induced by a modified loss, which consists of an original loss and an implicit regularizer. Then, we show that this implicit regularizer for (GD+M) is stronger than that of (GD) by factor of $(\frac{1+\beta}{1-\beta})$, thus explaining why (GD+M) shows better generalization performance and higher test accuracy than (GD). Furthermore, we extend our analysis to the stochastic version of gradient descent with momentum (SGD+M) and characterize the continuous trajectory of the update of (SGD+M) in a pointwise sense. We explore the implicit regularization in (SGD+M) and (GD+M) through a series of experiments validating our theory.

Sparse linear models are a gold standard tool for interpretable machine learning, a field of emerging importance as predictive models permeate decision-making in many domains. Unfortunately, sparse linear models are far less flexible as functions of their input features than black-box models like deep neural networks. With this capability gap in mind, we study a not-uncommon situation where the input features dichotomize into two groups: explanatory features, which we wish to explain the model's predictions, and contextual features, which we wish to determine the model's explanations. This dichotomy leads us to propose the contextual lasso, a new statistical estimator that fits a sparse linear model whose sparsity pattern and coefficients can vary with the contextual features. The fitting process involves learning a nonparametric map, realized via a deep neural network, from contextual feature vector to sparse coefficient vector. To attain sparse coefficients, we train the network with a novel lasso regularizer in the form of a projection layer that maps the network's output onto the space of $\ell_1$-constrained linear models. Extensive experiments on real and synthetic data suggest that the learned models, which remain highly transparent, can be sparser than the regular lasso without sacrificing the predictive power of a standard deep neural network.

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours to compute from first principles. Since the necessary number of data points per simulation is on the order of $10^9$ - $10^{12}$, machine learning regressors can be used in place of physics simulators to significantly reduce this computational burden. However, this task requires high-precision regressors that can deliver data with relative errors of less than $1\%$ or even $0.1\%$ over the entire domain of the function. In this paper, we develop optimal training strategies and tune various machine learning regressors to satisfy the high-precision requirement. We leverage symmetry arguments from particle physics to optimize the performance of the regressors. Inspired by ResNets, we design a Deep Neural Network with skip connections that outperform fully connected Deep Neural Networks. We find that at lower dimensions, boosted decision trees far outperform neural networks while at higher dimensions neural networks perform significantly better. We show that these regressors can speed up simulations by a factor of $10^3$ - $10^6$ over the first-principles computations currently used in Monte Carlo simulations. Additionally, using symmetry arguments derived from particle physics, we reduce the number of regressors necessary for each simulation by an order of magnitude. Our work can significantly reduce the training and storage burden of Monte Carlo simulations at current and future collider experiments.

Movement is how people interact with and affect their environment. For realistic character animation, it is necessary to synthesize such interactions between virtual characters and their surroundings. Despite recent progress in character animation using machine learning, most systems focus on controlling an agent's movements in fairly simple and homogeneous environments, with limited interactions with other objects. Furthermore, many previous approaches that synthesize human-scene interactions require significant manual labeling of the training data. In contrast, we present a system that uses adversarial imitation learning and reinforcement learning to train physically-simulated characters that perform scene interaction tasks in a natural and life-like manner. Our method learns scene interaction behaviors from large unstructured motion datasets, without manual annotation of the motion data. These scene interactions are learned using an adversarial discriminator that evaluates the realism of a motion within the context of a scene. The key novelty involves conditioning both the discriminator and the policy networks on scene context. We demonstrate the effectiveness of our approach through three challenging scene interaction tasks: carrying, sitting, and lying down, which require coordination of a character's movements in relation to objects in the environment. Our policies learn to seamlessly transition between different behaviors like idling, walking, and sitting. By randomizing the properties of the objects and their placements during training, our method is able to generalize beyond the objects and scenarios depicted in the training dataset, producing natural character-scene interactions for a wide variety of object shapes and placements. The approach takes physics-based character motion generation a step closer to broad applicability.

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (precondition phase) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (mask-learning phase). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.  ( 2 min )

The growing interest in complex decision-making and language modeling problems highlights the importance of sample-efficient learning over very long horizons. This work takes a step in this direction by investigating contextual linear bandits where the current reward depends on at most $s$ prior actions and contexts (not necessarily consecutive), up to a time horizon of $h$. In order to avoid polynomial dependence on $h$, we propose new algorithms that leverage sparsity to discover the dependence pattern and arm parameters jointly. We consider both the data-poor ($T<h$) and data-rich ($T\ge h$) regimes, and derive respective regret upper bounds $\tilde O(d\sqrt{sT} +\min\{ q, T\})$ and $\tilde O(\sqrt{sdT})$, with sparsity $s$, feature dimension $d$, total time horizon $T$, and $q$ that is adaptive to the reward dependence pattern. Complementing upper bounds, we also show that learning over a single trajectory brings inherent challenges: While the dependence pattern and arm parameters form a rank-1 matrix, circulant matrices are not isometric over rank-1 manifolds and sample complexity indeed benefits from the sparse reward dependence structure. Our results necessitate a new analysis to address long-range temporal dependencies across data and avoid polynomial dependence on the reward horizon $h$. Specifically, we utilize connections to the restricted isometry property of circulant matrices formed by dependent sub-Gaussian vectors and establish new guarantees that are also of independent interest.

The accurate prediction and estimation of annual snow accumulation has grown in importance as we deal with the effects of climate change and the increase of global atmospheric temperatures. Airborne radar sensors, such as the Snow Radar, are able to measure accumulation rate patterns at a large-scale and monitor the effects of ongoing climate change on Greenland's precipitation and run-off. The Snow Radar's use of an ultra-wide bandwidth enables a fine vertical resolution that helps in capturing internal ice layers. Given the amount of snow accumulation in previous years using the radar data, in this paper, we propose a machine learning model based on recurrent graph convolutional networks to predict the snow accumulation in recent consecutive years at a certain location. We found that the model performs better and with more consistency than equivalent nongeometric and nontemporal models.

The process of generating data such as images is controlled by independent and unknown factors of variation. The retrieval of these variables has been studied extensively in the disentanglement, causal representation learning, and independent component analysis fields. Recently, approaches merging these domains together have shown great success. Instead of directly representing the factors of variation, the problem of disentanglement can be seen as finding the interventions on one image that yield a change to a single factor. Following this assumption, we introduce a new method for disentanglement inspired by causal dynamics that combines causality theory with vector-quantized variational autoencoders. Our model considers the quantized vectors as causal variables and links them in a causal graph. It performs causal interventions on the graph and generates atomic transitions affecting a unique factor of variation in the image. We also introduce a new task of action retrieval that consists of finding the action responsible for the transition between two images. We test our method on standard synthetic and real-world disentanglement datasets. We show that it can effectively disentangle the factors of variation and perform precise interventions on high-level semantic attributes of an image without affecting its quality, even with imbalanced data distributions.

In recent years, deep learning methods have achieved great success in various fields due to their strong performance in practical applications. In this paper, we present a light-weight neural network for Parkinson's disease diagnostics, in which a series of hand-drawn data are collected to distinguish Parkinson's disease patients from healthy control subjects. The proposed model consists of a convolution neural network (CNN) cascading to long-short-term memory (LSTM) to adapt the characteristics of collected time-series signals. To make full use of their advantages, a multilayered LSTM model is firstly used to enrich features which are then concatenated with raw data and fed into a shallow one-dimensional (1D) CNN model for efficient classification. Experimental results show that the proposed model achieves a high-quality diagnostic result over multiple evaluation metrics with much fewer parameters and operations, outperforming conventional methods such as support vector machine (SVM), random forest (RF), lightgbm (LGB) and CNN-based methods.

Meta-learning usually refers to a learning algorithm that learns from other learning algorithms. The problem of uncertainty in the predictions of neural networks shows that the world is only partially predictable and a learned neural network cannot generalize to its ever-changing surrounding environments. Therefore, the question is how a predictive model can represent multiple predictions simultaneously. We aim to provide a fundamental understanding of learning to learn in the contents of Decentralized Neural Networks (Decentralized NNs) and we believe this is one of the most important questions and prerequisites to building an autonomous intelligence machine. To this end, we shall demonstrate several pieces of evidence for tackling the problems above with Meta Learning in Decentralized NNs. In particular, we will present three different approaches to building such a decentralized learning system: (1) learning from many replica neural networks, (2) building the hierarchy of neural networks for different functions, and (3) leveraging different modality experts to learn cross-modal representations.

Many real-world multi-label prediction problems involve set-valued predictions that must satisfy specific requirements dictated by downstream usage. We focus on a typical scenario where such requirements, separately encoding \textit{value} and \textit{cost}, compete with each other. For instance, a hospital might expect a smart diagnosis system to capture as many severe, often co-morbid, diseases as possible (the value), while maintaining strict control over incorrect predictions (the cost). We present a general pipeline, dubbed as FavMac, to maximize the value while controlling the cost in such scenarios. FavMac can be combined with almost any multi-label classifier, affording distribution-free theoretical guarantees on cost control. Moreover, unlike prior works, FavMac can handle real-world large-scale applications via a carefully designed online update mechanism, which is of independent interest. Our methodological and theoretical contributions are supported by experiments on several healthcare tasks and synthetic datasets - FavMac furnishes higher value compared with several variants and baselines while maintaining strict cost control.

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be trained to efficiently predict the desired response surface. A widely-used emulator is the Gaussian process (GP), which provides a flexible framework for efficient prediction and uncertainty quantification. Standard GPs, however, do not capture structured sparsity on the underlying response surface, which is present in many applications, particularly in the physical sciences. We thus propose a new hierarchical shrinkage GP (HierGP), which incorporates such structure via cumulative shrinkage priors within a GP framework. We show that the HierGP implicitly embeds the well-known principles of effect sparsity, heredity and hierarchy for analysis of experiments, which allows our model to identify structured sparse features from the response surface with limited data. We propose efficient posterior sampling algorithms for model training and prediction, and prove desirable consistency properties for the HierGP. Finally, we demonstrate the improved performance of HierGP over existing models, in a suite of numerical experiments and an application to dynamical system recovery.

The privacy preserving properties of Langevin dynamics with additive isotropic noise have been extensively studied. However, the isotropic noise assumption is very restrictive: (a) when adding noise to existing learning algorithms to preserve privacy and maintain the best possible accuracy one should take into account the relative magnitude of the outputs and their correlations; (b) popular algorithms such as stochastic gradient descent (and their continuous time limits) appear to possess anisotropic covariance properties. To study the privacy risks for the anisotropic noise case, one requires general results on the relative entropy between the laws of two Stochastic Differential Equations with different drifts and diffusion coefficients. Our main contribution is to establish such a bound using stability estimates for solutions to the Fokker-Planck equations via functional inequalities. With additional assumptions, the relative entropy bound implies an $(\epsilon,\delta)$-differential privacy bound. We discuss the practical implications of our bound related to privacy risk in different contexts.Finally, the benefits of anisotropic noise are illustrated using numerical results on optimising a quadratic loss or calibrating a neural network.

The field of compositional generalization is currently experiencing a renaissance in AI, as novel problem settings and algorithms motivated by various practical applications are being introduced, building on top of the classical compositional generalization problem. This article aims to provide a comprehensive review of top recent developments in multiple real-life applications of the compositional generalization. Specifically, we introduce a taxonomy of common applications and summarize the state-of-the-art for each of those domains. Furthermore, we identify important current trends and provide new perspectives pertaining to the future of this burgeoning field.  ( 2 min )

Classical results establish that ensembles of small models benefit when predictive diversity is encouraged, through bagging, boosting, and similar. Here we demonstrate that this intuition does not carry over to ensembles of deep neural networks used for classification, and in fact the opposite can be true. Unlike regression models or small (unconfident) classifiers, predictions from large (confident) neural networks concentrate in vertices of the probability simplex. Thus, decorrelating these points necessarily moves the ensemble prediction away from vertices, harming confidence and moving points across decision boundaries. Through large scale experiments, we demonstrate that diversity-encouraging regularizers hurt the performance of high-capacity deep ensembles used for classification. Even more surprisingly, discouraging predictive diversity can be beneficial. Together this work strongly suggests that the best strategy for deep ensembles is utilizing more accurate, but likely less diverse, component models.

The recently proposed Quantum Neuron Born Machine (QNBM) has demonstrated quality initial performance as the first quantum generative machine learning (ML) model proposed with non-linear activations. However, previous investigations have been limited in scope with regards to the model's learnability and simulatability. In this work, we make a considerable leap forward by providing an extensive deep dive into the QNBM's potential as a generative model. We first demonstrate that the QNBM's network representation makes it non-trivial to be classically efficiently simulated. Following this result, we showcase the model's ability to learn (express and train on) a wider set of probability distributions, and benchmark the performance against a classical Restricted Boltzmann Machine (RBM). The QNBM is able to outperform this classical model on all distributions, even for the most optimally trained RBM among our simulations. Specifically, the QNBM outperforms the RBM with an improvement factor of 75.3x, 6.4x, and 3.5x for the discrete Gaussian, cardinality-constrained, and Bars and Stripes distributions respectively. Lastly, we conduct an initial investigation into the model's generalization capabilities and use a KL test to show that the model is able to approximate the ground truth probability distribution more closely than the training distribution when given access to a limited amount of data. Overall, we put forth a stronger case in support of using the QNBM for larger-scale generative tasks.

Causal inference has numerous real-world applications in many domains, such as health care, marketing, political science, and online advertising. Treatment effect estimation, a fundamental problem in causal inference, has been extensively studied in statistics for decades. However, traditional treatment effect estimation methods may not well handle large-scale and high-dimensional heterogeneous data. In recent years, an emerging research direction has attracted increasing attention in the broad artificial intelligence field, which combines the advantages of traditional treatment effect estimation approaches (e.g., propensity score, matching, and reweighing) and advanced machine learning approaches (e.g., representation learning, adversarial learning, and graph neural networks). Although the advanced machine learning approaches have shown extraordinary performance in treatment effect estimation, it also comes with a lot of new topics and new research questions. In view of the latest research efforts in the causal inference field, we provide a comprehensive discussion of challenges and opportunities for the three core components of the treatment effect estimation task, i.e., treatment, covariates, and outcome. In addition, we showcase the promising research directions of this topic from multiple perspectives.

In this paper, we present a novel interpretation of the so-called Weisfeiler-Lehman (WL) distance, introduced by Chen et al. (2022), using concepts from stochastic processes. The WL distance aims at comparing graphs with node features, has the same discriminative power as the classic Weisfeiler-Lehman graph isomorphism test and has deep connections to the Gromov-Wasserstein distance. This new interpretation connects the WL distance to the literature on distances for stochastic processes, which also makes the interpretation of the distance more accessible and intuitive. We further explore the connections between the WL distance and certain Message Passing Neural Networks, and discuss the implications of the WL distance for understanding the Lipschitz property and the universal approximation results for these networks.

It can be difficult to identify trends and perform quality control in large, high-dimensional fMRI or omics datasets. To remedy this, we develop ImageNomer, a data visualization and analysis tool that allows inspection of both subject-level and cohort-level features. The tool allows visualization of phenotype correlation with functional connectivity (FC), partial connectivity (PC), dictionary components (PCA and our own method), and genomic data (single-nucleotide polymorphisms, SNPs). In addition, it allows visualization of weights from arbitrary ML models. ImageNomer is built with a Python backend and a Vue frontend. We validate ImageNomer using the Philadelphia Neurodevelopmental Cohort (PNC) dataset, which contains multitask fMRI and SNP data of healthy adolescents. Using correlation, greedy selection, or model weights, we find that a set of 10 FC features can explain 15% of variation in age, compared to 35% for the full 34,716 feature model. The four most significant FCs are either between bilateral default mode network (DMN) regions or spatially proximal subcortical areas. Additionally, we show that whereas both FC (fMRI) and SNPs (genomic) features can account for 10-15% of intelligence variation, this predictive ability disappears when controlling for race. We find that FC features can be used to predict race with 85% accuracy, compared to 78% accuracy for sex prediction. Using ImageNomer, this work casts doubt on the possibility of finding unbiased intelligence-related features in fMRI and SNPs of healthy adolescents.

In many learning applications, the parameters in a model are structurally constrained in a way that can be modeled as them lying on a Riemannian manifold. Riemannian optimization, wherein procedures to enforce an iterative minimizing sequence to be constrained to the manifold, is used to train such models. At the same time, tame geometry has become a significant topological description of nonsmooth functions that appear in the landscapes of training neural networks and other important models with structural compositions of continuous nonlinear functions with nonsmooth maps. In this paper, we study the properties of such stratifiable functions on a manifold and the behavior of retracted stochastic gradient descent, with diminishing stepsizes, for minimizing such functions.

Modern reinforcement learning (RL) often faces an enormous state-action space. Existing analytical results are typically for settings with a small number of state-actions, or simple models such as linearly modeled Q-functions. To derive statistically efficient RL policies handling large state-action spaces, with more general Q-functions, some recent works have considered nonlinear function approximation using kernel ridge regression. In this work, we derive sample complexities for kernel based Q-learning when a generative model exists. We propose a nonparametric Q-learning algorithm which finds an $\epsilon$-optimal policy in an arbitrarily large scale discounted MDP. The sample complexity of the proposed algorithm is order optimal with respect to $\epsilon$ and the complexity of the kernel (in terms of its information gain). To the best of our knowledge, this is the first result showing a finite sample complexity under such a general model.

The Shapley value is arguably the most popular approach for assigning a meaningful contribution value to players in a cooperative game, which has recently been used intensively in various areas of machine learning, most notably in explainable artificial intelligence. The meaningfulness is due to axiomatic properties that only the Shapley value satisfies, which, however, comes at the expense of an exact computation growing exponentially with the number of agents. Accordingly, a number of works are devoted to the efficient approximation of the Shapley values, all of which revolve around the notion of an agent's marginal contribution. In this paper, we propose with SVARM and Stratified SVARM two parameter-free and domain-independent approximation algorithms based on a representation of the Shapley value detached from the notion of marginal contributions. We prove unmatched theoretical guarantees regarding their approximation quality and provide satisfying empirical results.

Many real-world systems can be described by mathematical formulas that are human-comprehensible, easy to analyze and can be helpful in explaining the system's behaviour. Symbolic regression is a method that generates nonlinear models from data in the form of analytic expressions. Historically, symbolic regression has been predominantly realized using genetic programming, a method that iteratively evolves a population of candidate solutions that are sampled by genetic operators crossover and mutation. This gradient-free evolutionary approach suffers from several deficiencies: it does not scale well with the number of variables and samples in the training data, models tend to grow in size and complexity without an adequate accuracy gain, and it is hard to fine-tune the inner model coefficients using just genetic operators. Recently, neural networks have been applied to learn the whole analytic formula, i.e., its structure as well as the coefficients, by means of gradient-based optimization algorithms. We propose a novel neural network-based symbolic regression method that constructs physically plausible models based on limited training data and prior knowledge about the system. The method employs an adaptive weighting scheme to effectively deal with multiple loss function terms and an epoch-wise learning process to reduce the chance of getting stuck in poor local optima. Furthermore, we propose a parameter-free method for choosing the model with the best interpolation and extrapolation performance out of all models generated through the whole learning process. We experimentally evaluate the approach on the TurtleBot 2 mobile robot, the magnetic manipulation system, the equivalent resistance of two resistors in parallel, and the anti-lock braking system. The results clearly show the potential of the method to find sparse and accurate models that comply with the prior knowledge provided.

Deep learning has made tremendous progress in the last decade. A key success factor is the large amount of architectures, layers, objectives, and optimization techniques that have emerged in recent years. They include a myriad of variants related to attention, normalization, skip connection, transformer and self-supervised learning schemes -- to name a few. We provide a comprehensive overview of the most important, recent works in these areas to those who already have a basic understanding of deep learning. We hope that a holistic and unified treatment of influential, recent works helps researchers to form new connections between diverse areas of deep learning.

Deep learning models achieve excellent performance in numerous machine learning tasks. Yet, they suffer from security-related issues such as adversarial examples and poisoning (backdoor) attacks. A deep learning model may be poisoned by training with backdoored data or by modifying inner network parameters. Then, a backdoored model performs as expected when receiving a clean input, but it misclassifies when receiving a backdoored input stamped with a pre-designed pattern called "trigger". Unfortunately, it is difficult to distinguish between clean and backdoored models without prior knowledge of the trigger. This paper proposes a backdoor detection method by utilizing a special type of adversarial attack, universal adversarial perturbation (UAP), and its similarities with a backdoor trigger. We observe an intuitive phenomenon: UAPs generated from backdoored models need fewer perturbations to mislead the model than UAPs from clean models. UAPs of backdoored models tend to exploit the shortcut from all classes to the target class, built by the backdoor trigger. We propose a novel method called Universal Soldier for Backdoor detection (USB) and reverse engineering potential backdoor triggers via UAPs. Experiments on 345 models trained on several datasets show that USB effectively detects the injected backdoor and provides comparable or better results than state-of-the-art methods.

Recent studies have proven that DNNs, unlike human vision, tend to exploit texture information rather than shape. Such texture bias is one of the factors for the poor generalization performance of DNNs. We observe that the texture bias negatively affects not only in-domain generalization but also out-of-distribution generalization, i.e., Domain Generalization. Motivated by the observation, we propose a new framework to reduce the texture bias of a model by a novel optimization-based data augmentation, dubbed Stylized Dream. Our framework utilizes adaptive instance normalization (AdaIN) to augment the style of an original image yet preserve the content. We then adopt a regularization loss to predict consistent outputs between Stylized Dream and original images, which encourages the model to learn shape-based representations. Extensive experiments show that the proposed method achieves state-of-the-art performance in out-of-distribution settings on public benchmark datasets: PACS, VLCS, OfficeHome, TerraIncognita, and DomainNet.  ( 2 min )

Current evaluations of Continual Learning (CL) methods typically assume that there is no constraint on training time and computation. This is an unrealistic assumption for any real-world setting, which motivates us to propose: a practical real-time evaluation of continual learning, in which the stream does not wait for the model to complete training before revealing the next data for predictions. To do this, we evaluate current CL methods with respect to their computational costs. We hypothesize that under this new evaluation paradigm, computationally demanding CL approaches may perform poorly on streams with a varying distribution. We conduct extensive experiments on CLOC, a large-scale dataset containing 39 million time-stamped images with geolocation labels. We show that a simple baseline outperforms state-of-the-art CL methods under this evaluation, questioning the applicability of existing methods in realistic settings. In addition, we explore various CL components commonly used in the literature, including memory sampling strategies and regularization approaches. We find that all considered methods fail to be competitive against our simple baseline. This surprisingly suggests that the majority of existing CL literature is tailored to a specific class of streams that is not practical. We hope that the evaluation we provide will be the first step towards a paradigm shift to consider the computational cost in the development of online continual learning methods.  ( 2 min )

Robust Markov Decision Processes (MDPs) are getting more attention for learning a robust policy which is less sensitive to environment changes. There are an increasing number of works analyzing sample-efficiency of robust MDPs. However, most works study robust MDPs in a model-based regime, where the transition probability needs to be estimated and requires $\mathcal{O}(|\mathcal{S}|^2|\mathcal{A}|)$ storage in memory. A common way to solve robust MDPs is to formulate them as a distributionally robust optimization (DRO) problem. However, solving a DRO problem is non-trivial, so prior works typically assume a strong oracle to obtain the optimal solution of the DRO problem easily. To remove the need for an oracle, we first transform the original robust MDPs into an alternative form, as the alternative form allows us to use stochastic gradient methods to solve the robust MDPs. Moreover, we prove the alternative form still preserves the role of robustness. With this new formulation, we devise a sample-efficient algorithm to solve the robust MDPs in a model-free regime, from which we benefit lower memory space $\mathcal{O}(|\mathcal{S}||\mathcal{A}|)$ without using the oracle. Finally, we validate our theoretical findings via numerical experiments and show the efficiency to solve the alternative form of robust MDPs.

In this paper, we propose a novel data-driven operator learning framework referred to as the \textit{Randomized Prior Wavelet Neural Operator} (RP-WNO). The proposed RP-WNO is an extension of the recently proposed wavelet neural operator, which boasts excellent generalizing capabilities but cannot estimate the uncertainty associated with its predictions. RP-WNO, unlike the vanilla WNO, comes with inherent uncertainty quantification module and hence, is expected to be extremely useful for scientists and engineers alike. RP-WNO utilizes randomized prior networks, which can account for prior information and is easier to implement for large, complex deep-learning architectures than its Bayesian counterpart. Four examples have been solved to test the proposed framework, and the results produced advocate favorably for the efficacy of the proposed framework.  ( 2 min )

In systems governed by nonlinear partial differential equations such as fluid flows, the design of state estimators such as Kalman filters relies on a reduced-order model (ROM) that projects the original high-dimensional dynamics onto a computationally tractable low-dimensional space. However, ROMs are prone to large errors, which negatively affects the performance of the estimator. Here, we introduce the reinforcement learning reduced-order estimator (RL-ROE), a ROM-based estimator in which the correction term that takes in the measurements is given by a nonlinear policy trained through reinforcement learning. The nonlinearity of the policy enables the RL-ROE to compensate efficiently for errors of the ROM, while still taking advantage of the imperfect knowledge of the dynamics. Using examples involving the Burgers and Navier-Stokes equations, we show that in the limit of very few sensors, the trained RL-ROE outperforms a Kalman filter designed using the same ROM. Moreover, it yields accurate high-dimensional state estimates for reference trajectories corresponding to various physical parameter values, without direct knowledge of the latter.  ( 2 min )

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks.  ( 2 min )

Spiking neural networks are becoming increasingly popular for their low energy requirement in real-world tasks with accuracy comparable to the traditional ANNs. SNN training algorithms face the loss of gradient information and non-differentiability due to the Heaviside function in minimizing the model loss over model parameters. To circumvent the problem surrogate method uses a differentiable approximation of the Heaviside in the backward pass, while the forward pass uses the Heaviside as the spiking function. We propose to use the zeroth order technique at the neuron level to resolve this dichotomy and use it within the automatic differentiation tool. As a result, we establish a theoretical connection between the proposed local zeroth-order technique and the existing surrogate methods and vice-versa. The proposed method naturally lends itself to energy-efficient training of SNNs on GPUs. Experimental results with neuromorphic datasets show that such implementation requires less than 1 percent neurons to be active in the backward pass, resulting in a 100x speed-up in the backward computation time. Our method offers better generalization compared to the state-of-the-art energy-efficient technique while maintaining similar efficiency.  ( 2 min )

Automated vehicles (AVs) are tested in diverse scenarios, typically specified by parameters such as velocities, distances, or curve radii. To describe scenarios uniformly independent of such parameters, this paper proposes a vectorized scenario description defined by the road geometry and vehicles' trajectories. Data of this form are generated for three scenarios, merged, and used to train the motion prediction model VectorNet, allowing to predict an AV's trajectory for unseen scenarios. Predicting scenario evaluation metrics, VectorNet partially achieves lower errors than regression models that separately process the three scenarios' data. However, for comprehensive generalization, sufficient variance in the training data must be ensured. Thus, contrary to existing methods, our proposed method can merge diverse scenarios' data and exploit spatial and temporal nuances in the vectorized scenario description. As a result, data from specified test scenarios and real-world scenarios can be compared and combined for (predictive) analyses and scenario selection.  ( 2 min )

In this work, we propose a deep learning approach to forecasting state-level COVID-19 trends of weekly cumulative death in the United States (US) and incident cases in Germany. This approach includes a transformer model, an ensemble method, and a data augmentation technique for time series. We arrange the inputs of the transformer in such a way that predictions for different states can attend to the trends of the others. To overcome the issue of scarcity of training data for this COVID-19 pandemic, we have developed a novel data augmentation technique to generate useful data for training. More importantly, the generated data can also be used for model validation. As such, it has a two-fold advantage: 1) more actual observations can be used for training, and 2) the model can be validated on data which has distribution closer to the expected situation. Our model has achieved some of the best state-level results on the COVID-19 Forecast Hub for the US and for Germany.  ( 2 min )

Graphs consisting of vocal nodes ("the vocal minority") and silent nodes ("the silent majority"), namely VS-Graph, are ubiquitous in the real world. The vocal nodes tend to have abundant features and labels. In contrast, silent nodes only have incomplete features and rare labels, e.g., the description and political tendency of politicians (vocal) are abundant while not for ordinary people (silent) on the twitter's social network. Predicting the silent majority remains a crucial yet challenging problem. However, most existing message-passing based GNNs assume that all nodes belong to the same domain, without considering the missing features and distribution-shift between domains, leading to poor ability to deal with VS-Graph. To combat the above challenges, we propose Knowledge Transferable Graph Neural Network (KT-GNN), which models distribution shifts during message passing and representation learning by transferring knowledge from vocal nodes to silent nodes. Specifically, we design the domain-adapted "feature completion and message passing mechanism" for node representation learning while preserving domain difference. And a knowledge transferable classifier based on KL-divergence is followed. Comprehensive experiments on real-world scenarios (i.e., company financial risk assessment and political elections) demonstrate the superior performance of our method. Our source code has been open sourced.

This paper describes deep learning models based on convolutional neural networks applied to the problem of predicting EM wave propagation over rural terrain. A surface integral equation formulation, solved with the method of moments and accelerated using the Fast Far Field approximation, is used to generate synthetic training data which comprises path loss computed over randomly generated 1D terrain profiles. These are used to train two networks, one based on fractal profiles and one based on profiles generated using a Gaussian process. The models show excellent agreement when applied to test profiles generated using the same statistical process used to create the training data and very good accuracy when applied to real life problems.

In this article, we present our approach to personalizing Etsy Ads through encoding and learning from short-term (one-hour) sequences of user actions and diverse representations. To this end we introduce a three-component adSformer diversifiable personalization module (ADPM) and illustrate how we use this module to derive a short-term dynamic user representation and personalize the Click-Through Rate (CTR) and Post-Click Conversion Rate (PCCVR) models used in sponsored search (ad) ranking. The first component of the ADPM is a custom transformer encoder that learns the inherent structure from the sequence of actions. ADPM's second component enriches the signal through visual, multimodal and textual pretrained representations. Lastly, the third ADPM component includes a "learned" on the fly average pooled representation. The ADPM-personalized CTR and PCCVR models, henceforth referred to as adSformer CTR and adSformer PCCVR, outperform the CTR and PCCVR production baselines by $+6.65\%$ and $+12.70\%$, respectively, in offline Precision-Recall Area Under the Curve (PR AUC). At the time of this writing, following the online gains in A/B tests, such as $+5.34\%$ in return on ad spend, a seller success metric, we are ramping up the adSformers to $100\%$ traffic in Etsy Ads.

In recent years, Reinforcement Learning (RL) has been applied to real-world problems with increasing success. Such applications often require to put constraints on the agent's behavior. Existing algorithms for constrained RL (CRL) rely on gradient descent-ascent, but this approach comes with a caveat. While these algorithms are guaranteed to converge on average, they do not guarantee last-iterate convergence, i.e., the current policy of the agent may never converge to the optimal solution. In practice, it is often observed that the policy alternates between satisfying the constraints and maximizing the reward, rarely accomplishing both objectives simultaneously. Here, we address this problem by introducing Reinforcement Learning with Optimistic Ascent-Descent (ReLOAD), a principled CRL method with guaranteed last-iterate convergence. We demonstrate its empirical effectiveness on a wide variety of CRL problems including discrete MDPs and continuous control. In the process we establish a benchmark of challenging CRL problems.

Predicting the motion of dynamic agents is a critical task for guaranteeing the safety of autonomous systems. A particular challenge is that motion prediction algorithms should obey dynamics constraints and quantify prediction uncertainty as a measure of confidence. We present a physics-constrained approach for motion prediction which uses a surrogate dynamical model to ensure that predicted trajectories are dynamically feasible. We propose a two-step integration consisting of intent and trajectory prediction subject to dynamics constraints. We also construct prediction regions that quantify uncertainty and are tailored for autonomous driving by using conformal prediction, a popular statistical tool. Physics Constrained Motion Prediction achieves a 41% better ADE, 56% better FDE, and 19% better IoU over a baseline in experiments using an autonomous racing dataset.  ( 2 min )

We investigate the problem of unconstrained combinatorial multi-armed bandits with full-bandit feedback and stochastic rewards for submodular maximization. Previous works investigate the same problem assuming a submodular and monotone reward function. In this work, we study a more general problem, i.e., when the reward function is not necessarily monotone, and the submodularity is assumed only in expectation. We propose Randomized Greedy Learning (RGL) algorithm and theoretically prove that it achieves a $\frac{1}{2}$-regret upper bound of $\tilde{\mathcal{O}}(n T^{\frac{2}{3}})$ for horizon $T$ and number of arms $n$. We also show in experiments that RGL empirically outperforms other full-bandit variants in submodular and non-submodular settings.

We propose $\textsf{ScaledGD($\lambda$)}$, a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, $\textsf{ScaledGD($\lambda$)}$ starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, $\textsf{ScaledGD($\lambda$)}$ is remarkably robust to ill-conditioning compared to vanilla gradient descent ($\textsf{GD}$) even with overprameterization. Specifically, we show that, under the Gaussian design, $\textsf{ScaledGD($\lambda$)}$ converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla $\textsf{GD}$ which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

Bayesian Neural Networks (BNNs) can overcome the problem of overconfidence that plagues traditional frequentist deep neural networks, and are hence considered to be a key enabler for reliable AI systems. However, conventional hardware realizations of BNNs are resource intensive, requiring the implementation of random number generators for synaptic sampling. Owing to their inherent stochasticity during programming and read operations, nanoscale memristive devices can be directly leveraged for sampling, without the need for additional hardware resources. In this paper, we introduce a novel Phase Change Memory (PCM)-based hardware implementation for BNNs with binary synapses. The proposed architecture consists of separate weight and noise planes, in which PCM cells are configured and operated to represent the nominal values of weights and to generate the required noise for sampling, respectively. Using experimentally observed PCM noise characteristics, for the exemplary Breast Cancer Dataset classification problem, we obtain hardware accuracy and expected calibration error matching that of an 8-bit fixed-point (FxP8) implementation, with projected savings of over 9$\times$ in terms of core area transistor count.

A number of recent adaptive optimizers improve the generalisation performance of Adam by essentially reducing the variance of adaptive stepsizes to get closer to SGD with momentum. Following the above motivation, we suppress the range of the adaptive stepsizes of Adam by exploiting the layerwise gradient statistics. In particular, at each iteration, we propose to perform three consecutive operations on the second momentum v_t before using it to update a DNN model: (1): down-scaling, (2): epsilon-embedding, and (3): down-translating. The resulting algorithm is referred to as SET-Adam, where SET is a brief notation of the three operations. The down-scaling operation on v_t is performed layerwise by making use of the angles between the layerwise subvectors of v_t and the corresponding all-one subvectors. Extensive experimental results show that SET-Adam outperforms eight adaptive optimizers when training transformers and LSTMs for NLP, and VGG and ResNet for image classification over CIAF10 and CIFAR100 while matching the best performance of the eight adaptive methods when training WGAN-GP models for image generation tasks. Furthermore, SET-Adam produces higher validation accuracies than Adam and AdaBelief for training ResNet18 over ImageNet.  ( 2 min )

Thanks to the ubiquitous deployment of Wi-Fi hotspots, channel state information (CSI)-based Wi-Fi sensing can unleash game-changing applications in many fields, such as healthcare, security, and entertainment. However, despite one decade of active research on Wi-Fi sensing, most existing work only considers legacy IEEE 802.11n devices, often in particular and strictly-controlled environments. Worse yet, there is a fundamental lack of understanding of the impact on CSI-based sensing of modern Wi-Fi features, such as 160-MHz bandwidth, multiple-input multiple-output (MIMO) transmissions, and increased spectral resolution in IEEE 802.11ax (Wi-Fi 6). This work aims to shed light on the impact of Wi-Fi 6 features on the sensing performance and to create a benchmark for future research on Wi-Fi sensing. To this end, we perform an extensive CSI data collection campaign involving 3 individuals, 3 environments, and 12 activities, using Wi-Fi 6 signals. An anonymized ground truth obtained through video recording accompanies our 80-GB dataset, which contains almost two hours of CSI data from three collectors. We leverage our dataset to dissect the performance of a state-of-the-art sensing framework across different environments and individuals. Our key findings suggest that (i) MIMO transmissions and higher spectral resolution might be more beneficial than larger bandwidth for sensing applications; (ii) there is a pressing need to standardize research on Wi-Fi sensing because the path towards a truly environment-independent framework is still uncertain. To ease the experiments' replicability and address the current lack of Wi-Fi 6 CSI datasets, we release our 80-GB dataset to the community.  ( 2 min )

We develop a deep learning methodology for the simultaneous discovery of multiple nontrivial continuous symmetries across an entire labelled dataset. The symmetry transformations and the corresponding generators are modeled with fully connected neural networks trained with a specially constructed loss function ensuring the desired symmetry properties. The two new elements in this work are the use of a reduced-dimensionality latent space and the generalization to transformations invariant with respect to high-dimensional oracles. The method is demonstrated with several examples on the MNIST digit dataset.  ( 2 min )

Multiagent reinforcement learning (MARL) has benefited significantly from population-based and game-theoretic training regimes. One approach, Policy-Space Response Oracles (PSRO), employs standard reinforcement learning to compute response policies via approximate best responses and combines them via meta-strategy selection. We augment PSRO by adding a novel search procedure with generative sampling of world states, and introduce two new meta-strategy solvers based on the Nash bargaining solution. We evaluate PSRO's ability to compute approximate Nash equilibrium, and its performance in two negotiation games: Colored Trails, and Deal or No Deal. We conduct behavioral studies where human participants negotiate with our agents ($N = 346$). We find that search with generative modeling finds stronger policies during both training time and test time, enables online Bayesian co-player prediction, and can produce agents that achieve comparable social welfare negotiating with humans as humans trading among themselves.

Reinforcement Learning (RL) with constraints is becoming an increasingly important problem for various applications. Often, the average criterion is more suitable. Yet, RL for average criterion-constrained MDPs remains a challenging problem. Algorithms designed for discounted constrained RL problems often do not perform well for the average CMDP setting. In this paper, we introduce a new (possibly the first) policy optimization algorithm for constrained MDPs with the average criterion. The Average-Constrained Policy Optimization (ACPO) algorithm is inspired by the famed PPO-type algorithms based on trust region methods. We develop basic sensitivity theory for average MDPs, and then use the corresponding bounds in the design of the algorithm. We provide theoretical guarantees on its performance, and through extensive experimental work in various challenging MuJoCo environments, show the superior performance of the algorithm when compared to other state-of-the-art algorithms adapted for the average CMDP setting.

Neural radiance fields (NeRF) excel at synthesizing new views given multi-view, calibrated images of a static scene. When scenes include distractors, which are not persistent during image capture (moving objects, lighting variations, shadows), artifacts appear as view-dependent effects or 'floaters'. To cope with distractors, we advocate a form of robust estimation for NeRF training, modeling distractors in training data as outliers of an optimization problem. Our method successfully removes outliers from a scene and improves upon our baselines, on synthetic and real-world scenes. Our technique is simple to incorporate in modern NeRF frameworks, with few hyper-parameters. It does not assume a priori knowledge of the types of distractors, and is instead focused on the optimization problem rather than pre-processing or modeling transient objects. More results on our page https://robustnerf.github.io/public.

Gradient Balancing (GraB) is a recently proposed technique that finds provably better data permutations when training models with multiple epochs over a finite dataset. It converges at a faster rate than the widely adopted Random Reshuffling, by minimizing the discrepancy of the gradients on adjacently selected examples. However, GraB only operates under critical assumptions such as small batch sizes and centralized data, leaving open the question of how to order examples at large scale -- i.e. distributed learning with decentralized data. To alleviate the limitation, in this paper we propose D-GraB that involves two novel designs: (1) $\textsf{PairBalance}$ that eliminates the requirement to use stale gradient mean in GraB which critically relies on small learning rates; (2) an ordering protocol that runs $\textsf{PairBalance}$ in a distributed environment with negligible overhead, which benefits from both data ordering and parallelism. We prove D-GraB enjoys linear speed up at rate $\tilde{O}((mnT)^{-2/3})$ on smooth non-convex objectives and $\tilde{O}((mnT)^{-2})$ under PL condition, where $n$ denotes the number of parallel workers, $m$ denotes the number of examples per worker and $T$ denotes the number of epochs. Empirically, we show on various applications including GLUE, CIFAR10 and WikiText-2 that D-GraB outperforms naive parallel GraB and Distributed Random Reshuffling in terms of both training and validation performance.

Quantum theory has shown its superiority in enhancing machine learning. However, facilitating quantum theory to enhance graph learning is in its infancy. This survey investigates the current advances in quantum graph learning (QGL) from three perspectives, i.e., underlying theories, methods, and prospects. We first look at QGL and discuss the mutualism of quantum theory and graph learning, the specificity of graph-structured data, and the bottleneck of graph learning, respectively. A new taxonomy of QGL is presented, i.e., quantum computing on graphs, quantum graph representation, and quantum circuits for graph neural networks. Pitfall traps are then highlighted and explained. This survey aims to provide a brief but insightful introduction to this emerging field, along with a detailed discussion of frontiers and outlook yet to be investigated.

Building and maintaining production-grade ML-enabled components is a complex endeavor that goes beyond the current approach of academic education, focused on the optimization of ML model performance in the lab. In this paper, we present a project-based learning approach to teaching MLOps, focused on the demonstration and experience with emerging practices and tools to automatize the construction of ML-enabled components. We examine the design of a course based on this approach, including laboratory sessions that cover the end-to-end ML component life cycle, from model building to production deployment. Moreover, we report on preliminary results from the first edition of the course. During the present year, an updated version of the same course is being delivered in two independent universities; the related learning outcomes will be evaluated to analyze the effectiveness of project-based learning for this specific subject.

Time series analysis is widely used in extensive areas. Recently, to reduce labeling expenses and benefit various tasks, self-supervised pre-training has attracted immense interest. One mainstream paradigm is masked modeling, which successfully pre-trains deep models by learning to reconstruct the masked content based on the unmasked part. However, since the semantic information of time series is mainly contained in temporal variations, the standard way of randomly masking a portion of time points will ruin vital temporal variations of time series seriously, making the reconstruction task too difficult to guide representation learning. We thus present SimMTM, a Simple pre-training framework for Masked Time-series Modeling. By relating masked modeling to manifold learning, SimMTM proposes to recover masked time points by the weighted aggregation of multiple neighbors outside the manifold, which eases the reconstruction task by assembling ruined but complementary temporal variations from multiple masked series. SimMTM further learns to uncover the local structure of the manifold helpful for masked modeling. Experimentally, SimMTM achieves state-of-the-art fine-tuning performance in two canonical time series analysis tasks: forecasting and classification, covering both in- and cross-domain settings.

Binary neural networks (BNNs) have received ever-increasing popularity for their great capability of reducing storage burden as well as quickening inference time. However, there is a severe performance drop compared with {real-valued} networks, due to its intrinsic frequent weight oscillation during training. In this paper, we introduce a Resilient Binary Neural Network (ReBNN) to mitigate the frequent oscillation for better BNNs' training. We identify that the weight oscillation mainly stems from the non-parametric scaling factor. To address this issue, we propose to parameterize the scaling factor and introduce a weighted reconstruction loss to build an adaptive training objective. %To the best of our knowledge, it is the first work to solve BNNs based on a dynamically re-weighted loss function. For the first time, we show that the weight oscillation is controlled by the balanced parameter attached to the reconstruction loss, which provides a theoretical foundation to parameterize it in back propagation. Based on this, we learn our ReBNN by {calculating} the {balanced} parameter {based on} its maximum magnitude, which can effectively mitigate the weight oscillation with a resilient training process. Extensive experiments are conducted upon various network models, such as ResNet and Faster-RCNN for computer vision, as well as BERT for natural language processing. The results demonstrate the overwhelming performance of our ReBNN over prior arts. For example, our ReBNN achieves 66.9\% Top-1 accuracy with ResNet-18 backbone on the ImageNet dataset, surpassing existing state-of-the-arts by a significant margin. Our code is open-sourced at https://github.com/SteveTsui/ReBNN.

Online meta-learning has recently emerged as a marriage between batch meta-learning and online learning, for achieving the capability of quick adaptation on new tasks in a lifelong manner. However, most existing approaches focus on the restrictive setting where the distribution of the online tasks remains fixed with known task boundaries. In this work, we relax these assumptions and propose a novel algorithm for task-agnostic online meta-learning in non-stationary environments. More specifically, we first propose two simple but effective detection mechanisms of task switches and distribution shift based on empirical observations, which serve as a key building block for more elegant online model updates in our algorithm: the task switch detection mechanism allows reusing of the best model available for the current task at hand, and the distribution shift detection mechanism differentiates the meta model update in order to preserve the knowledge for in-distribution tasks and quickly learn the new knowledge for out-of-distribution tasks. In particular, our online meta model updates are based only on the current data, which eliminates the need of storing previous data as required in most existing methods. We further show that a sublinear task-averaged regret can be achieved for our algorithm under mild conditions. Empirical studies on three different benchmarks clearly demonstrate the significant advantage of our algorithm over related baseline approaches.

The goal of causal representation learning is to find a representation of data that consists of causally related latent variables. We consider a setup where one has access to data from multiple domains that potentially share a causal representation. Crucially, observations in different domains are assumed to be unpaired, that is, we only observe the marginal distribution in each domain but not their joint distribution. In this paper, we give sufficient conditions for identifiability of the joint distribution and the shared causal graph in a linear setup. Identifiability holds if we can uniquely recover the joint distribution and the shared causal representation from the marginal distributions in each domain. We transform our identifiability results into a practical method to recover the shared latent causal graph. Moreover, we study how multiple domains reduce errors in falsely detecting shared causal variables in the finite data setting.

Background: To develop an artificial intelligence system that can accurately identify acute non-traumatic intracranial hemorrhage (ICH) etiology based on non-contrast CT (NCCT) scans and investigate whether clinicians can benefit from it in a diagnostic setting. Materials and Methods: The deep learning model was developed with 1868 eligible NCCT scans with non-traumatic ICH collected between January 2011 and April 2018. We tested the model on two independent datasets (TT200 and SD 98) collected after April 2018. The model's diagnostic performance was compared with clinicians's performance. We further designed a simulated study to compare the clinicians's performance with and without the deep learning system augmentation. Results: The proposed deep learning system achieved area under the receiver operating curve of 0.986 (95% CI 0.967-1.000) on aneurysms, 0.952 (0.917-0.987) on hypertensive hemorrhage, 0.950 (0.860-1.000) on arteriovenous malformation (AVM), 0.749 (0.586-0.912) on Moyamoya disease (MMD), 0.837 (0.704-0.969) on cavernous malformation (CM), and 0.839 (0.722-0.959) on other causes in TT200 dataset. Given a 90% specificity level, the sensitivities of our model were 97.1% and 90.9% for aneurysm and AVM diagnosis, respectively. The model also shows an impressive generalizability in an independent dataset SD98. The clinicians achieve significant improvements in the sensitivity, specificity, and accuracy of diagnoses of certain hemorrhage etiologies with proposed system augmentation. Conclusions: The proposed deep learning algorithms can be an effective tool for early identification of hemorrhage etiologies based on NCCT scans. It may also provide more information for clinicians for triage and further imaging examination selection.

Energy-based models have the natural advantage of flexibility in the form of the energy function. Recently, energy-based models have achieved great success in modeling high-dimensional data in computer vision and natural language processing. In accordance with these signs of progress, we build a versatile energy-based model for High Energy Physics events at the Large Hadron Collider. This framework builds on a powerful generative model and describes higher-order inter-particle interactions. It suits different encoding architectures and builds on implicit generation. As for applicational aspects, it can serve as a powerful parameterized event generator, a generic anomalous signal detector, and an augmented event classifier.

Online meta-learning has recently emerged as a marriage between batch meta-learning and online learning, for achieving the capability of quick adaptation on new tasks in a lifelong manner. However, most existing approaches focus on the restrictive setting where the distribution of the online tasks remains fixed with known task boundaries. In this work, we relax these assumptions and propose a novel algorithm for task-agnostic online meta-learning in non-stationary environments. More specifically, we first propose two simple but effective detection mechanisms of task switches and distribution shift based on empirical observations, which serve as a key building block for more elegant online model updates in our algorithm: the task switch detection mechanism allows reusing of the best model available for the current task at hand, and the distribution shift detection mechanism differentiates the meta model update in order to preserve the knowledge for in-distribution tasks and quickly learn the new knowledge for out-of-distribution tasks. In particular, our online meta model updates are based only on the current data, which eliminates the need of storing previous data as required in most existing methods. We further show that a sublinear task-averaged regret can be achieved for our algorithm under mild conditions. Empirical studies on three different benchmarks clearly demonstrate the significant advantage of our algorithm over related baseline approaches.

NDCG, namely Normalized Discounted Cumulative Gain, is a widely used ranking metric in information retrieval and machine learning. However, efficient and provable stochastic methods for maximizing NDCG are still lacking, especially for deep models. In this paper, we propose a principled approach to optimize NDCG and its top-$K$ variant. First, we formulate a novel compositional optimization problem for optimizing the NDCG surrogate, and a novel bilevel compositional optimization problem for optimizing the top-$K$ NDCG surrogate. Then, we develop efficient stochastic algorithms with provable convergence guarantees for the non-convex objectives. Different from existing NDCG optimization methods, the per-iteration complexity of our algorithms scales with the mini-batch size instead of the number of total items. To improve the effectiveness for deep learning, we further propose practical strategies by using initial warm-up and stop gradient operator. Experimental results on multiple datasets demonstrate that our methods outperform prior ranking approaches in terms of NDCG. To the best of our knowledge, this is the first time that stochastic algorithms are proposed to optimize NDCG with a provable convergence guarantee. Our proposed methods are implemented in the LibAUC library at https://libauc.org/.

Understanding the extent to which the perceptual world can be recovered from language is a fundamental problem in cognitive science. We reformulate this problem as that of distilling psychophysical information from text and show how this can be done by combining large language models (LLMs) with a classic psychophysical method based on similarity judgments. Specifically, we use the prompt auto-completion functionality of GPT3, a state-of-the-art LLM, to elicit similarity scores between stimuli and then apply multidimensional scaling to uncover their underlying psychological space. We test our approach on six perceptual domains and show that the elicited judgments strongly correlate with human data and successfully recover well-known psychophysical structures such as the color wheel and pitch spiral. We also explore meaningful divergences between LLM and human representations. Our work showcases how combining state-of-the-art machine models with well-known cognitive paradigms can shed new light on fundamental questions in perception and language research.

Motivated by time series forecasting, we study Online Linear Optimization (OLO) under the coupling of two problem structures: the domain is unbounded, and the performance of an algorithm is measured by its dynamic regret. Handling either of them requires the regret bound to depend on certain complexity measure of the comparator sequence -- specifically, the comparator norm in unconstrained OLO, and the path length in dynamic regret. In contrast to a recent work (Jacobsen & Cutkosky, 2022) that adapts to the combination of these two complexity measures, we propose an alternative complexity measure by recasting the problem into sparse coding. Adaptivity can be achieved by a simple modular framework, which naturally exploits more intricate prior knowledge of the environment. Along the way, we also present a new gradient adaptive algorithm for static unconstrained OLO, designed using novel continuous time machinery. This could be of independent interest.

I measure adaptation to climate change by comparing elasticities from short-run and long-run changes in damaging weather. I propose a debiased machine learning approach to flexibly measure these elasticities in panel settings. In a simulation exercise, I show that debiased machine learning has considerable benefits relative to standard machine learning or ordinary least squares, particularly in high-dimensional settings. I then measure adaptation to damaging heat exposure in United States corn and soy production. Using rich sets of temperature and precipitation variation, I find evidence that short-run impacts from damaging heat are significantly offset in the long run. I show that this is because the impacts of long-run changes in heat exposure do not follow the same functional form as short-run shocks to heat exposure.

We consider the problem of answering observational, interventional, and counterfactual queries in a causally sufficient setting where only observational data and the causal graph are available. Utilizing the recent developments in diffusion models, we introduce diffusion-based causal models (DCM) to learn causal mechanisms, that generate unique latent encodings to allow for direct sampling under interventions as well as abduction for counterfactuals. We utilize DCM to model structural equations, seeing that diffusion models serve as a natural candidate here since they encode each node to a latent representation, a proxy for the exogenous noise, and offer flexible and accurate modeling to provide reliable causal statements and estimates. Our empirical evaluations demonstrate significant improvements over existing state-of-the-art methods for answering causal queries. Our theoretical results provide a methodology for analyzing the counterfactual error for general encoder/decoder models which could be of independent interest.

Spatial data exhibits the property that nearby points are correlated. This also holds for learnt representations across layers, but not for commonly used weight initialization methods. Our theoretical analysis quantifies the learning behavior of weights of a single spatial filter. It is thus in contrast to a large body of work that discusses statistical properties of weights. It shows that uncorrelated initialization (i) might lead to poor convergence behavior and (ii) training of (some) parameters is likely subject to slow convergence. Empirical analysis shows that these findings for a single spatial filter extend to networks with many spatial filters. The impact of (correlated) initialization depends strongly on learning rates and l2-regularization.

Knowledge transfer is shown to be a very successful technique for training neural classifiers: together with the ground truth data, it uses the "privileged information" (PI) obtained by a "teacher" network to train a "student" network. It has been observed that classifiers learn much faster and more reliably via knowledge transfer. However, there has been little or no theoretical analysis of this phenomenon. To bridge this gap, we propose to approach the problem of knowledge transfer by regularizing the fit between the teacher and the student with PI provided by the teacher. Using tools from dynamical systems theory, we show that when the student is an extremely wide two layer network, we can analyze it in the kernel regime and show that it is able to interpolate between PI and the given data. This characterization sheds new light on the relation between the training error and capacity of the student relative to the teacher. Another contribution of the paper is a quantitative statement on the convergence of student network. We prove that the teacher reduces the number of required iterations for a student to learn, and consequently improves the generalization power of the student. We give corresponding experimental analysis that validates the theoretical results and yield additional insights.

Using gradient descent (GD) with fixed or decaying step-size is a standard practice in unconstrained optimization problems. However, when the loss function is only locally convex, such a step-size schedule artificially slows GD down as it cannot explore the flat curvature of the loss function. To overcome that issue, we propose to exponentially increase the step-size of the GD algorithm. Under homogeneous assumptions on the loss function, we demonstrate that the iterates of the proposed \emph{exponential step size gradient descent} (EGD) algorithm converge linearly to the optimal solution. Leveraging that optimization insight, we then consider using the EGD algorithm for solving parameter estimation under both regular and non-regular statistical models whose loss function becomes locally convex when the sample size goes to infinity. We demonstrate that the EGD iterates reach the final statistical radius within the true parameter after a logarithmic number of iterations, which is in stark contrast to a \emph{polynomial} number of iterations of the GD algorithm in non-regular statistical models. Therefore, the total computational complexity of the EGD algorithm is \emph{optimal} and exponentially cheaper than that of the GD for solving parameter estimation in non-regular statistical models while being comparable to that of the GD in regular statistical settings. To the best of our knowledge, it resolves a long-standing gap between statistical and algorithmic computational complexities of parameter estimation in non-regular statistical models. Finally, we provide targeted applications of the general theory to several classes of statistical models, including generalized linear models with polynomial link functions and location Gaussian mixture models.

While many solutions for privacy-preserving convex empirical risk minimization (ERM) have been developed, privacy-preserving nonconvex ERM remains a challenge. We study nonconvex ERM, which takes the form of minimizing a finite-sum of nonconvex loss functions over a training set. We propose a new differentially private stochastic gradient descent algorithm for nonconvex ERM that achieves strong privacy guarantees efficiently, and provide a tight analysis of its privacy and utility guarantees, as well as its gradient complexity. Our algorithm reduces gradient complexity while improves the best previous utility guarantee given by Wang et al. (NeurIPS 2017). Our experiments on benchmark nonconvex ERM problems demonstrate superior performance in terms of both training cost and utility gains compared with previous differentially private methods using the same privacy budgets.

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be trained to efficiently predict the desired response surface. A widely-used emulator is the Gaussian process (GP), which provides a flexible framework for efficient prediction and uncertainty quantification. Standard GPs, however, do not capture structured sparsity on the underlying response surface, which is present in many applications, particularly in the physical sciences. We thus propose a new hierarchical shrinkage GP (HierGP), which incorporates such structure via cumulative shrinkage priors within a GP framework. We show that the HierGP implicitly embeds the well-known principles of effect sparsity, heredity and hierarchy for analysis of experiments, which allows our model to identify structured sparse features from the response surface with limited data. We propose efficient posterior sampling algorithms for model training and prediction, and prove desirable consistency properties for the HierGP. Finally, we demonstrate the improved performance of HierGP over existing models, in a suite of numerical experiments and an application to dynamical system recovery.

There has been significant recent progress in training differentially private (DP) models which achieve accuracy that approaches the best non-private models. These DP models are typically pretrained on large public datasets and then fine-tuned on downstream datasets that are (i) relatively large, and (ii) similar in distribution to the pretraining data. However, in many applications including personalization, it is crucial to perform well in the few-shot setting, as obtaining large amounts of labeled data may be problematic; and on images from a wide variety of domains for use in various specialist settings. To understand under which conditions few-shot DP can be effective, we perform an exhaustive set of experiments that reveals how the accuracy and vulnerability to attack of few-shot DP image classification models are affected as the number of shots per class, privacy level, model architecture, dataset, and subset of learnable parameters in the model vary. We show that to achieve DP accuracy on par with non-private models, the shots per class must be increased as the privacy level increases by as much as 32$\times$ for CIFAR-100 at $\epsilon=1$. We also find that few-shot non-private models are highly susceptible to membership inference attacks. DP provides clear mitigation against the attacks, but a small $\epsilon$ is required to effectively prevent them. Finally, we evaluate DP federated learning systems and establish state-of-the-art performance on the challenging FLAIR federated learning benchmark.

We consider the task of reconstructing polytopes with fixed facet directions from finitely many support function evaluations. We show that for a fixed simplicial normal fan the least-squares estimate is given by a convex quadratic program. We study the geometry of the solution set and give a combinatorial characterization for the uniqueness of the reconstruction in this case. We provide an algorithm that, under mild assumptions, converges to the unknown input shape as the number of noisy support function evaluations increases. We also discuss limitations of our results if the restriction on the normal fan is removed.

The growing interest in complex decision-making and language modeling problems highlights the importance of sample-efficient learning over very long horizons. This work takes a step in this direction by investigating contextual linear bandits where the current reward depends on at most $s$ prior actions and contexts (not necessarily consecutive), up to a time horizon of $h$. In order to avoid polynomial dependence on $h$, we propose new algorithms that leverage sparsity to discover the dependence pattern and arm parameters jointly. We consider both the data-poor ($T<h$) and data-rich ($T\ge h$) regimes, and derive respective regret upper bounds $\tilde O(d\sqrt{sT} +\min\{ q, T\})$ and $\tilde O(\sqrt{sdT})$, with sparsity $s$, feature dimension $d$, total time horizon $T$, and $q$ that is adaptive to the reward dependence pattern. Complementing upper bounds, we also show that learning over a single trajectory brings inherent challenges: While the dependence pattern and arm parameters form a rank-1 matrix, circulant matrices are not isometric over rank-1 manifolds and sample complexity indeed benefits from the sparse reward dependence structure. Our results necessitate a new analysis to address long-range temporal dependencies across data and avoid polynomial dependence on the reward horizon $h$. Specifically, we utilize connections to the restricted isometry property of circulant matrices formed by dependent sub-Gaussian vectors and establish new guarantees that are also of independent interest.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Modern reinforcement learning (RL) often faces an enormous state-action space. Existing analytical results are typically for settings with a small number of state-actions, or simple models such as linearly modeled Q-functions. To derive statistically efficient RL policies handling large state-action spaces, with more general Q-functions, some recent works have considered nonlinear function approximation using kernel ridge regression. In this work, we derive sample complexities for kernel based Q-learning when a generative model exists. We propose a nonparametric Q-learning algorithm which finds an $\epsilon$-optimal policy in an arbitrarily large scale discounted MDP. The sample complexity of the proposed algorithm is order optimal with respect to $\epsilon$ and the complexity of the kernel (in terms of its information gain). To the best of our knowledge, this is the first result showing a finite sample complexity under such a general model.

Accurate estimation of the states of a nonlinear dynamical system is crucial for their design, synthesis, and analysis. Particle filters are estimators constructed by simulating trajectories from a sampling distribution and averaging them based on their importance weight. For particle filters to be computationally tractable, it must be feasible to simulate the trajectories by drawing from the sampling distribution. Simultaneously, these trajectories need to reflect the reality of the nonlinear dynamical system so that the resulting estimators are accurate. Thus, the crux of particle filters lies in designing sampling distributions that are both easy to sample from and lead to accurate estimators. In this work, we propose to learn the sampling distributions. We put forward four methods for learning sampling distributions from observed measurements. Three of the methods are parametric methods in which we learn the mean and covariance matrix of a multivariate Gaussian distribution; each methods exploits a different aspect of the data (generic, time structure, graph structure). The fourth method is a nonparametric alternative in which we directly learn a transform of a uniform random variable. All four methods are trained in an unsupervised manner by maximizing the likelihood that the states may have produced the observed measurements. Our computational experiments demonstrate that learned sampling distributions exhibit better performance than designed, minimum-degeneracy sampling distributions.

Robust Markov Decision Processes (MDPs) are getting more attention for learning a robust policy which is less sensitive to environment changes. There are an increasing number of works analyzing sample-efficiency of robust MDPs. However, most works study robust MDPs in a model-based regime, where the transition probability needs to be estimated and requires $\mathcal{O}(|\mathcal{S}|^2|\mathcal{A}|)$ storage in memory. A common way to solve robust MDPs is to formulate them as a distributionally robust optimization (DRO) problem. However, solving a DRO problem is non-trivial, so prior works typically assume a strong oracle to obtain the optimal solution of the DRO problem easily. To remove the need for an oracle, we first transform the original robust MDPs into an alternative form, as the alternative form allows us to use stochastic gradient methods to solve the robust MDPs. Moreover, we prove the alternative form still preserves the role of robustness. With this new formulation, we devise a sample-efficient algorithm to solve the robust MDPs in a model-free regime, from which we benefit lower memory space $\mathcal{O}(|\mathcal{S}||\mathcal{A}|)$ without using the oracle. Finally, we validate our theoretical findings via numerical experiments and show the efficiency to solve the alternative form of robust MDPs.  ( 2 min )

Many real-world multi-label prediction problems involve set-valued predictions that must satisfy specific requirements dictated by downstream usage. We focus on a typical scenario where such requirements, separately encoding \textit{value} and \textit{cost}, compete with each other. For instance, a hospital might expect a smart diagnosis system to capture as many severe, often co-morbid, diseases as possible (the value), while maintaining strict control over incorrect predictions (the cost). We present a general pipeline, dubbed as FavMac, to maximize the value while controlling the cost in such scenarios. FavMac can be combined with almost any multi-label classifier, affording distribution-free theoretical guarantees on cost control. Moreover, unlike prior works, FavMac can handle real-world large-scale applications via a carefully designed online update mechanism, which is of independent interest. Our methodological and theoretical contributions are supported by experiments on several healthcare tasks and synthetic datasets - FavMac furnishes higher value compared with several variants and baselines while maintaining strict cost control.  ( 2 min )

Current state-of-the-art causal models for link prediction assume an underlying set of inherent node factors -- an innate characteristic defined at the node's birth -- that governs the causal evolution of links in the graph. In some causal tasks, however, link formation is path-dependent, i.e., the outcome of link interventions depends on existing links. For instance, in the customer-product graph of an online retailer, the effect of an 85-inch TV ad (treatment) likely depends on whether the costumer already has an 85-inch TV. Unfortunately, existing causal methods are impractical in these scenarios. The cascading functional dependencies between links (due to path dependence) are either unidentifiable or require an impractical number of control variables. In order to remedy this shortcoming, this work develops the first causal model capable of dealing with path dependencies in link prediction. It introduces the concept of causal lifting, an invariance in causal models that, when satisfied, allows the identification of causal link prediction queries using limited interventional data. On the estimation side, we show how structural pairwise embeddings -- a type of symmetry-based joint representation of node pairs in a graph -- exhibit lower bias and correctly represent the causal structure of the task, as opposed to existing node embedding methods, e.g., GNNs and matrix factorization. Finally, we validate our theoretical findings on four datasets under three different scenarios for causal link prediction tasks: knowledge base completion, covariance matrix estimation and consumer-product recommendations.  ( 2 min )

A fundamental question in designing lossy data compression schemes is how well one can do in comparison with the rate-distortion function, which describes the known theoretical limits of lossy compression. Motivated by the empirical success of deep neural network (DNN) compressors on large, real-world data, we investigate methods to estimate the rate-distortion function on such data, which would allow comparison of DNN compressors with optimality. While one could use the empirical distribution of the data and apply the Blahut-Arimoto algorithm, this approach presents several computational challenges and inaccuracies when the datasets are large and high-dimensional, such as the case of modern image datasets. Instead, we re-formulate the rate-distortion objective, and solve the resulting functional optimization problem using neural networks. We apply the resulting rate-distortion estimator, called NERD, on popular image datasets, and provide evidence that NERD can accurately estimate the rate-distortion function. Using our estimate, we show that the rate-distortion achievable by DNN compressors are within several bits of the rate-distortion function for real-world datasets. Additionally, NERD provides access to the rate-distortion achieving channel, as well as samples from its output marginal. Therefore, using recent results in reverse channel coding, we describe how NERD can be used to construct an operational one-shot lossy compression scheme with guarantees on the achievable rate and distortion. Experimental results demonstrate competitive performance with DNN compressors.  ( 2 min )

We study the dynamics and implicit bias of gradient flow (GF) on univariate ReLU neural networks with a single hidden layer in a binary classification setting. We show that when the labels are determined by the sign of a target network with $r$ neurons, with high probability over the initialization of the network and the sampling of the dataset, GF converges in direction (suitably defined) to a network achieving perfect training accuracy and having at most $\mathcal{O}(r)$ linear regions, implying a generalization bound. Unlike many other results in the literature, under an additional assumption on the distribution of the data, our result holds even for mild over-parameterization, where the width is $\tilde{\mathcal{O}}(r)$ and independent of the sample size.  ( 2 min )

Off-policy evaluation (OPE) is a method for estimating the return of a target policy using some pre-collected observational data generated by a potentially different behavior policy. In some cases, there may be unmeasured variables that can confound the action-reward or action-next-state relationships, rendering many existing OPE approaches ineffective. This paper develops an instrumental variable (IV)-based method for consistent OPE in confounded Markov decision processes (MDPs). Similar to single-stage decision making, we show that IV enables us to correctly identify the target policy's value in infinite horizon settings as well. Furthermore, we propose an efficient and robust value estimator and illustrate its effectiveness through extensive simulations and analysis of real data from a world-leading short-video platform.  ( 2 min )

We study the interpolation, or memorization, power of deep ReLU neural networks. Specifically, we consider the question of how efficiently, in terms of the number of parameters, deep ReLU networks can interpolate values at $N$ datapoints in the unit ball which are separated by a distance $\delta$. We show that $\Omega(N)$ parameters are required in the regime where $\delta$ is exponentially small in $N$, which gives the sharp result in this regime since $O(N)$ parameters are always sufficient. This also shows that the bit-extraction technique used to prove lower bounds on the VC dimension cannot be applied to irregularly spaced datapoints.  ( 2 min )

Many industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown process characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. In this paper, we demonstrate the application of an adaptive and explorative real-time optimization framework to an industrial refrigeration process, where we learn the process characteristics through changes in process control targets and through exploration to satisfy safety constraints. We quantify the uncertainty in unknown compressor characteristics of the refrigeration plant by using Gaussian processes and incorporate this uncertainty into the objective function of the real-time optimization problem as a weighted cost term. We adaptively control the weight of this term to drive exploration. The results of our simulation experiments indicate the proposed approach can help to increase the energy efficiency of the considered refrigeration process, closely approximating the performance of a solution that has complete information about the compressor performance characteristics.  ( 2 min )

The problem of efficient approximation of a linear operator induced by the Gaussian or softmax kernel is often addressed using random features (RFs) which yield an unbiased approximation of the operator's result. Such operators emerge in important applications ranging from kernel methods to efficient Transformers. We propose parameterized, positive, non-trigonometric RFs which approximate Gaussian and softmax-kernels. In contrast to traditional RF approximations, parameters of these new methods can be optimized to reduce the variance of the approximation, and the optimum can be expressed in closed form. We show that our methods lead to variance reduction in practice ($e^{10}$-times smaller variance and beyond) and outperform previous methods in a kernel regression task. Using our proposed mechanism, we also present FAVOR#, a method for self-attention approximation in Transformers. We show that FAVOR# outperforms other random feature methods in speech modelling and natural language processing.

We develop a deep learning methodology for the simultaneous discovery of multiple nontrivial continuous symmetries across an entire labelled dataset. The symmetry transformations and the corresponding generators are modeled with fully connected neural networks trained with a specially constructed loss function ensuring the desired symmetry properties. The two new elements in this work are the use of a reduced-dimensionality latent space and the generalization to transformations invariant with respect to high-dimensional oracles. The method is demonstrated with several examples on the MNIST digit dataset.

Concept Bottleneck Models (CBMs) map the inputs onto a set of interpretable concepts (``the bottleneck'') and use the concepts to make predictions. A concept bottleneck enhances interpretability since it can be investigated to understand what concepts the model "sees" in an input and which of these concepts are deemed important. However, CBMs are restrictive in practice as they require dense concept annotations in the training data to learn the bottleneck. Moreover, CBMs often do not match the accuracy of an unrestricted neural network, reducing the incentive to deploy them in practice. In this work, we address these limitations of CBMs by introducing Post-hoc Concept Bottleneck models (PCBMs). We show that we can turn any neural network into a PCBM without sacrificing model performance while still retaining the interpretability benefits. When concept annotations are not available on the training data, we show that PCBM can transfer concepts from other datasets or from natural language descriptions of concepts via multimodal models. A key benefit of PCBM is that it enables users to quickly debug and update the model to reduce spurious correlations and improve generalization to new distributions. PCBM allows for global model edits, which can be more efficient than previous works on local interventions that fix a specific prediction. Through a model-editing user study, we show that editing PCBMs via concept-level feedback can provide significant performance gains without using data from the target domain or model retraining.  ( 2 min )

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where the equations of motion are integrated with timesteps on the order of femtoseconds ($1\textrm{fs}=10^{-15}\textrm{s}$). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed from scratch for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of $10^{5} - 10^{6}\:\textrm{fs}$. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids), exploring their metastable states and providing wall-clock acceleration when sampling compared to standard MD. Our method constitutes an important step towards developing general, transferable algorithms for accelerating MD.  ( 2 min )

Overparametrization often helps improve the generalization performance. This paper proposes a dual view of overparametrization suggesting that downsampling may also help generalize. Motivated by this dual view, we characterize two out-of-sample prediction risks of the sketched ridgeless least square estimator in the proportional regime $m\asymp n \asymp p$, where $m$ is the sketching size, $n$ the sample size, and $p$ the feature dimensionality. Our results reveal the statistical role of downsampling. Specifically, downsampling does not always hurt the generalization performance, and may actually help improve it in some cases. We identify the optimal sketching sizes that minimize the out-of-sample prediction risks, and find that the optimally sketched estimator has stabler risk curves that eliminates the peaks of those for the full-sample estimator. We then propose a practical procedure to empirically identify the optimal sketching size. Finally, we extend our results to cover central limit theorems and misspecified models. Numerical studies strongly support our theory.  ( 2 min )

The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the fact that many variants of GANs were developed following this paradigm, the current theoretical understanding of GANs and their practical algorithms are inconsistent. In this paper, we leverage Wasserstein gradient flows which characterize the evolution of particles in the sample space, to gain theoretical insights and algorithmic inspiration of GANs. We introduce a unified generative modeling framework - MonoFlow: the particle evolution is rescaled via a monotonically increasing mapping of the log density ratio. Under our framework, adversarial training can be viewed as a procedure first obtaining MonoFlow's vector field via training the discriminator and the generator learns to draw the particle flow defined by the corresponding vector field. We also reveal the fundamental difference between variational divergence minimization and adversarial training. This analysis helps us to identify what types of generator loss functions can lead to the successful training of GANs and suggest that GANs may have more loss designs beyond the literature (e.g., non-saturated loss), as long as they realize MonoFlow. Consistent empirical studies are included to validate the effectiveness of our framework.  ( 2 min )

Sparse linear models are a gold standard tool for interpretable machine learning, a field of emerging importance as predictive models permeate decision-making in many domains. Unfortunately, sparse linear models are far less flexible as functions of their input features than black-box models like deep neural networks. With this capability gap in mind, we study a not-uncommon situation where the input features dichotomize into two groups: explanatory features, which we wish to explain the model's predictions, and contextual features, which we wish to determine the model's explanations. This dichotomy leads us to propose the contextual lasso, a new statistical estimator that fits a sparse linear model whose sparsity pattern and coefficients can vary with the contextual features. The fitting process involves learning a nonparametric map, realized via a deep neural network, from contextual feature vector to sparse coefficient vector. To attain sparse coefficients, we train the network with a novel lasso regularizer in the form of a projection layer that maps the network's output onto the space of $\ell_1$-constrained linear models. Extensive experiments on real and synthetic data suggest that the learned models, which remain highly transparent, can be sparser than the regular lasso without sacrificing the predictive power of a standard deep neural network.  ( 2 min )

We propose a new class of models for variable clustering called Asymptotic Independent block (AI-block) models, which defines population-level clusters based on the independence of the maxima of a multivariate stationary mixing random process among clusters. This class of models is identifiable, meaning that there exists a maximal element with a partial order between partitions, allowing for statistical inference. We also present an algorithm for recovering the clusters of variables without specifying the number of clusters \emph{a priori}. Our work provides some theoritical insights into the consistency of our algorithm, demonstrating that under certain conditions it can effectively identify clusters in the data with a computational complexity that is polynomial in the dimension. This implies that groups can be learned nonparametrically in which block maxima of a dependent process are only sub-asymptotic.  ( 2 min )

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of joint predictions of labels across multiple inputs. In principle, ensemble-based approaches produce effective joint predictions, but the computational costs of training large ensembles can become prohibitive. We introduce the epinet: an architecture that can supplement any conventional neural network, including large pretrained models, and can be trained with modest incremental computation to estimate uncertainty. With an epinet, conventional neural networks outperform very large ensembles, consisting of hundreds or more particles, with orders of magnitude less computation. The epinet does not fit the traditional framework of Bayesian neural networks. To accommodate development of approaches beyond BNNs, such as the epinet, we introduce the epistemic neural network (ENN) as an interface for models that produce joint predictions.  ( 2 min )

Performance of machine learning models may differ between training and deployment for many reasons. For instance, model performance can change between environments due to changes in data quality, observing a different population than the one in training, or changes in the relationship between labels and features. These changes result in distribution shifts across environments. Attributing model performance changes to specific shifts is critical for identifying sources of model failures, and for taking mitigating actions that ensure robust models. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.  ( 2 min )

It is common in modern prediction problems for many predictor variables to be counts of rarely occurring events. This leads to design matrices in which many columns are highly sparse. The challenge posed by such "rare features" has received little attention despite its prevalence in diverse areas, ranging from natural language processing (e.g., rare words) to biology (e.g., rare species). We show, both theoretically and empirically, that not explicitly accounting for the rareness of features can greatly reduce the effectiveness of an analysis. We next propose a framework for aggregating rare features into denser features in a flexible manner that creates better predictors of the response. Our strategy leverages side information in the form of a tree that encodes feature similarity. We apply our method to data from TripAdvisor, in which we predict the numerical rating of a hotel based on the text of the associated review. Our method achieves high accuracy by making effective use of rare words; by contrast, the lasso is unable to identify highly predictive words if they are too rare. A companion R package, called rare, implements our new estimator, using the alternating direction method of multipliers.  ( 2 min )

Recent results on optimization and generalization properties of neural networks showed that in a simple two-layer network, the alignment of the labels to the eigenvectors of the corresponding Gram matrix determines the convergence of the optimization during training. Such analyses also provide upper bounds on the generalization error. We experimentally investigate the implications of these results to deeper networks via embeddings. We regard the layers preceding the final hidden layer as producing different representations of the input data which are then fed to the two-layer model. We show that these representations improve both optimization and generalization. In particular, we investigate three kernel representations when fed to the final hidden layer: the Gaussian kernel and its approximation by random Fourier features, kernels designed to imitate representations produced by neural networks and finally an optimal kernel designed to align the data with target labels. The approximated representations induced by these kernels are fed to the neural network and the optimization and generalization properties of the final model are evaluated and compared.  ( 2 min )

This paper presents new machine learning approaches to approximate the solutions of optimal stopping problems. The key idea of these methods is to use neural networks, where the parameters of the hidden layers are generated randomly and only the last layer is trained, in order to approximate the continuation value. Our approaches are applicable to high dimensional problems where the existing approaches become increasingly impractical. In addition, since our approaches can be optimized using simple linear regression, they are easy to implement and theoretical guarantees are provided. Our randomized reinforcement learning approach and randomized recurrent neural network approach outperform the state-of-the-art and other relevant machine learning approaches in Markovian and non-Markovian examples, respectively. In particular, we test our approaches on Black-Scholes, Heston, rough Heston and fractional Brownian motion. Moreover, we show that they can also be used to efficiently compute Greeks of American options.  ( 2 min )

We provide a theoretical justification for sample recovery using diffusion based image inpainting in a linear model setting. While most inpainting algorithms require retraining with each new mask, we prove that diffusion based inpainting generalizes well to unseen masks without retraining. We analyze a recently proposed popular diffusion based inpainting algorithm called RePaint (Lugmayr et al., 2022), and show that it has a bias due to misalignment that hampers sample recovery even in a two-state diffusion process. Motivated by our analysis, we propose a modified RePaint algorithm we call RePaint$^+$ that provably recovers the underlying true sample and enjoys a linear rate of convergence. It achieves this by rectifying the misalignment error present in drift and dispersion of the reverse process. To the best of our knowledge, this is the first linear convergence result for a diffusion based image inpainting algorithm.  ( 2 min )

Multi-objective Bayesian optimization aims to find the Pareto front of optimal trade-offs between a set of expensive objectives while collecting as few samples as possible. In some cases, it is possible to evaluate the objectives separately, and a different latency or evaluation cost can be associated with each objective. This presents an opportunity to learn the Pareto front faster by evaluating the cheaper objectives more frequently. We propose a scalarization based knowledge gradient acquisition function which accounts for the different evaluation costs of the objectives. We prove consistency of the algorithm and show empirically that it significantly outperforms a benchmark algorithm which always evaluates both objectives.  ( 2 min )

Causal inference has numerous real-world applications in many domains, such as health care, marketing, political science, and online advertising. Treatment effect estimation, a fundamental problem in causal inference, has been extensively studied in statistics for decades. However, traditional treatment effect estimation methods may not well handle large-scale and high-dimensional heterogeneous data. In recent years, an emerging research direction has attracted increasing attention in the broad artificial intelligence field, which combines the advantages of traditional treatment effect estimation approaches (e.g., propensity score, matching, and reweighing) and advanced machine learning approaches (e.g., representation learning, adversarial learning, and graph neural networks). Although the advanced machine learning approaches have shown extraordinary performance in treatment effect estimation, it also comes with a lot of new topics and new research questions. In view of the latest research efforts in the causal inference field, we provide a comprehensive discussion of challenges and opportunities for the three core components of the treatment effect estimation task, i.e., treatment, covariates, and outcome. In addition, we showcase the promising research directions of this topic from multiple perspectives.  ( 2 min )

We consider the optimisation of large and shallow neural networks via gradient flow, where the output of each hidden node is scaled by some positive parameter. We focus on the case where the node scalings are non-identical, differing from the classical Neural Tangent Kernel (NTK) parameterisation. We prove that, for large neural networks, with high probability, gradient flow converges to a global minimum AND can learn features, unlike in the NTK regime. We also provide experiments on synthetic and real-world datasets illustrating our theoretical results and showing the benefit of such scaling in terms of pruning and transfer learning.  ( 2 min )

We study the problem of robust distribution estimation under the Wasserstein metric, a popular discrepancy measure between probability distributions rooted in optimal transport (OT) theory. We introduce a new outlier-robust Wasserstein distance $\mathsf{W}_p^\varepsilon$ which allows for $\varepsilon$ outlier mass to be removed from its input distributions, and show that minimum distance estimation under $\mathsf{W}_p^\varepsilon$ achieves minimax optimal robust estimation risk. Our analysis is rooted in several new results for partial OT, including an approximate triangle inequality, which may be of independent interest. To address computational tractability, we derive a dual formulation for $\mathsf{W}_p^\varepsilon$ that adds a simple penalty term to the classic Kantorovich dual objective. As such, $\mathsf{W}_p^\varepsilon$ can be implemented via an elementary modification to standard, duality-based OT solvers. Our results are extended to sliced OT, where distributions are projected onto low-dimensional subspaces, and applications to homogeneity and independence testing are explored. We illustrate the virtues of our framework via applications to generative modeling with contaminated datasets.  ( 2 min )

In this paper, we propose a novel data-driven operator learning framework referred to as the \textit{Randomized Prior Wavelet Neural Operator} (RP-WNO). The proposed RP-WNO is an extension of the recently proposed wavelet neural operator, which boasts excellent generalizing capabilities but cannot estimate the uncertainty associated with its predictions. RP-WNO, unlike the vanilla WNO, comes with inherent uncertainty quantification module and hence, is expected to be extremely useful for scientists and engineers alike. RP-WNO utilizes randomized prior networks, which can account for prior information and is easier to implement for large, complex deep-learning architectures than its Bayesian counterpart. Four examples have been solved to test the proposed framework, and the results produced advocate favorably for the efficacy of the proposed framework.  ( 2 min )

The goal of causal representation learning is to find a representation of data that consists of causally related latent variables. We consider a setup where one has access to data from multiple domains that potentially share a causal representation. Crucially, observations in different domains are assumed to be unpaired, that is, we only observe the marginal distribution in each domain but not their joint distribution. In this paper, we give sufficient conditions for identifiability of the joint distribution and the shared causal graph in a linear setup. Identifiability holds if we can uniquely recover the joint distribution and the shared causal representation from the marginal distributions in each domain. We transform our identifiability results into a practical method to recover the shared latent causal graph. Moreover, we study how multiple domains reduce errors in falsely detecting shared causal variables in the finite data setting.  ( 2 min )

We propose $\textsf{ScaledGD($\lambda$)}$, a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, $\textsf{ScaledGD($\lambda$)}$ starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, $\textsf{ScaledGD($\lambda$)}$ is remarkably robust to ill-conditioning compared to vanilla gradient descent ($\textsf{GD}$) even with overprameterization. Specifically, we show that, under the Gaussian design, $\textsf{ScaledGD($\lambda$)}$ converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla $\textsf{GD}$ which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.  ( 2 min )

This paper presents a novel mechanism design for multi-item auction settings with uncertain bidders' type distributions. Our proposed approach utilizes nonparametric density estimation to accurately estimate bidders' types from historical bids, and is built upon the Vickrey-Clarke-Groves (VCG) mechanism, ensuring satisfaction of Bayesian incentive compatibility (BIC) and $\delta$-individual rationality (IR). To further enhance the efficiency of our mechanism, we introduce two novel strategies for query reduction: a filtering method that screens potential winners' value regions within the confidence intervals generated by our estimated distribution, and a classification strategy that designates the lower bound of an interval as the estimated type when the length is below a threshold value. Simulation experiments conducted on both small-scale and large-scale data demonstrate that our mechanism consistently outperforms existing methods in terms of revenue maximization and query reduction, particularly in large-scale scenarios. This makes our proposed mechanism a highly desirable and effective option for sellers in the realm of multi-item auctions.  ( 2 min )

This paper studies the fundamental limits of reinforcement learning (RL) in the challenging \emph{partially observable} setting. While it is well-established that learning in Partially Observable Markov Decision Processes (POMDPs) requires exponentially many samples in the worst case, a surge of recent work shows that polynomial sample complexities are achievable under the \emph{revealing condition} -- A natural condition that requires the observables to reveal some information about the unobserved latent states. However, the fundamental limits for learning in revealing POMDPs are much less understood, with existing lower bounds being rather preliminary and having substantial gaps from the current best upper bounds. We establish strong PAC and regret lower bounds for learning in revealing POMDPs. Our lower bounds scale polynomially in all relevant problem parameters in a multiplicative fashion, and achieve significantly smaller gaps against the current best upper bounds, providing a solid starting point for future studies. In particular, for \emph{multi-step} revealing POMDPs, we show that (1) the latent state-space dependence is at least $\Omega(S^{1.5})$ in the PAC sample complexity, which is notably harder than the $\widetilde{\Theta}(S)$ scaling for fully-observable MDPs; (2) Any polynomial sublinear regret is at least $\Omega(T^{2/3})$, suggesting its fundamental difference from the \emph{single-step} case where $\widetilde{O}(\sqrt{T})$ regret is achievable. Technically, our hard instance construction adapts techniques in \emph{distribution testing}, which is new to the RL literature and may be of independent interest.  ( 2 min )

We introduce a new stochastic algorithm for solving entropic optimal transport (EOT) between two absolutely continuous probability measures $\mu$ and $\nu$. Our work is motivated by the specific setting of Monge-Kantorovich quantiles where the source measure $\mu$ is either the uniform distribution on the unit hypercube or the spherical uniform distribution. Using the knowledge of the source measure, we propose to parametrize a Kantorovich dual potential by its Fourier coefficients. In this way, each iteration of our stochastic algorithm reduces to two Fourier transforms that enables us to make use of the Fast Fourier Transform (FFT) in order to implement a fast numerical method to solve EOT. We study the almost sure convergence of our stochastic algorithm that takes its values in an infinite-dimensional Banach space. Then, using numerical experiments, we illustrate the performances of our approach on the computation of regularized Monge-Kantorovich quantiles. In particular, we investigate the potential benefits of entropic regularization for the smooth estimation of multivariate quantiles using data sampled from the target measure $\nu$.  ( 2 min )

Slope failures possess destructive power that can cause significant damage to both life and infrastructure. Monitoring slopes prone to instabilities is therefore critical in mitigating the risk posed by their failure. The purpose of slope monitoring is to detect precursory signs of stability issues, such as changes in the rate of displacement with which a slope is deforming. This information can then be used to predict the timing or probability of an imminent failure in order to provide an early warning. In this study, a more objective, statistical-learning algorithm is proposed to detect and characterise the risk of a slope failure, based on spectral analysis of serially correlated displacement time series data. The algorithm is applied to satellite-based interferometric synthetic radar (InSAR) displacement time series data to retrospectively analyse the risk of the 2019 Brumadinho tailings dam collapse in Brazil. Two potential risk milestones are identified and signs of a definitive but emergent risk (27 February 2018 to 26 August 2018) and imminent risk of collapse of the tailings dam (27 June 2018 to 24 December 2018) are detected by the algorithm. Importantly, this precursory indication of risk of failure is detected as early as at least five months prior to the dam collapse on 25 January 2019. The results of this study demonstrate that the combination of spectral methods and second order statistical properties of InSAR displacement time series data can reveal signs of a transition into an unstable deformation regime, and that this algorithm can provide sufficient early warning that could help mitigate catastrophic slope failures.  ( 2 min )

In recent years, deep learning methods have achieved great success in various fields due to their strong performance in practical applications. In this paper, we present a light-weight neural network for Parkinson's disease diagnostics, in which a series of hand-drawn data are collected to distinguish Parkinson's disease patients from healthy control subjects. The proposed model consists of a convolution neural network (CNN) cascading to long-short-term memory (LSTM) to adapt the characteristics of collected time-series signals. To make full use of their advantages, a multilayered LSTM model is firstly used to enrich features which are then concatenated with raw data and fed into a shallow one-dimensional (1D) CNN model for efficient classification. Experimental results show that the proposed model achieves a high-quality diagnostic result over multiple evaluation metrics with much fewer parameters and operations, outperforming conventional methods such as support vector machine (SVM), random forest (RF), lightgbm (LGB) and CNN-based methods.  ( 2 min )

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours to compute from first principles. Since the necessary number of data points per simulation is on the order of $10^9$ - $10^{12}$, machine learning regressors can be used in place of physics simulators to significantly reduce this computational burden. However, this task requires high-precision regressors that can deliver data with relative errors of less than $1\%$ or even $0.1\%$ over the entire domain of the function. In this paper, we develop optimal training strategies and tune various machine learning regressors to satisfy the high-precision requirement. We leverage symmetry arguments from particle physics to optimize the performance of the regressors. Inspired by ResNets, we design a Deep Neural Network with skip connections that outperform fully connected Deep Neural Networks. We find that at lower dimensions, boosted decision trees far outperform neural networks while at higher dimensions neural networks perform significantly better. We show that these regressors can speed up simulations by a factor of $10^3$ - $10^6$ over the first-principles computations currently used in Monte Carlo simulations. Additionally, using symmetry arguments derived from particle physics, we reduce the number of regressors necessary for each simulation by an order of magnitude. Our work can significantly reduce the training and storage burden of Monte Carlo simulations at current and future collider experiments.  ( 2 min )

Missing data is common in datasets retrieved in various areas, such as medicine, sports, and finance. In many cases, to enable proper and reliable analyses of such data, the missing values are often imputed, and it is necessary that the method used has a low root mean square error (RMSE) between the imputed and the true values. In addition, for some critical applications, it is also often a requirement that the logic behind the imputation is explainable, which is especially difficult for complex methods that are for example, based on deep learning. This motivates us to introduce a conditional Distribution based Imputation of Missing Values (DIMV) algorithm. This approach works based on finding the conditional distribution of a feature with missing entries based on the fully observed features. As will be illustrated in the paper, DIMV (i) gives a low RMSE for the imputed values compared to state-of-the-art methods under comparison; (ii) is explainable; (iii) can provide an approximated confidence region for the missing values in a given sample; (iv) works for both small and large scale data; (v) in many scenarios, does not require a huge number of parameters as deep learning approaches and therefore can be used for mobile devices or web browsers; and (vi) is robust to the normally distributed assumption that its theoretical grounds rely on. In addition to DIMV, we also introduce the DPER* algorithm improving the speed of DPER for estimating the mean and covariance matrix from the data, and we confirm the speed-up via experiments.  ( 2 min )

Classical results establish that ensembles of small models benefit when predictive diversity is encouraged, through bagging, boosting, and similar. Here we demonstrate that this intuition does not carry over to ensembles of deep neural networks used for classification, and in fact the opposite can be true. Unlike regression models or small (unconfident) classifiers, predictions from large (confident) neural networks concentrate in vertices of the probability simplex. Thus, decorrelating these points necessarily moves the ensemble prediction away from vertices, harming confidence and moving points across decision boundaries. Through large scale experiments, we demonstrate that diversity-encouraging regularizers hurt the performance of high-capacity deep ensembles used for classification. Even more surprisingly, discouraging predictive diversity can be beneficial. Together this work strongly suggests that the best strategy for deep ensembles is utilizing more accurate, but likely less diverse, component models.  ( 2 min )

Energy-based models have the natural advantage of flexibility in the form of the energy function. Recently, energy-based models have achieved great success in modeling high-dimensional data in computer vision and natural language processing. In accordance with these signs of progress, we build a versatile energy-based model for High Energy Physics events at the Large Hadron Collider. This framework builds on a powerful generative model and describes higher-order inter-particle interactions. It suits different encoding architectures and builds on implicit generation. As for applicational aspects, it can serve as a powerful parameterized event generator, a generic anomalous signal detector, and an augmented event classifier.  ( 2 min )

This might be a bit of a dumb question; so I understand the concept of the discount factor with calculating the sum of expected rewards: the closer gamma is to 1.0, the more emphasis the agent places on future rewards as opposed to its current reward. Generally though this seems to happen with when a return is calculated for an entire episode. In Q-learning different state action pairs are getting updates to their q-values at each step, so there's no sort of monte-carlo return that's being calculated back through an entire episode. Therefore is the purpose of gamma here just to make sure the Q-values converge in an infinite horizon case? submitted by /u/1cedrake [link] [comments]  ( 42 min )

Hello, I'm fairly new to RL and I'm trying to understand the concepts. I saw the spinningup's classification of RL algorithms and noticed that PPO is classified as a Policy based method. However, I read that PPO has both actor and critic networks and [I] considered it to be a hybrid method. I was wondering that if PPO trains both policy and value networks, why is it considered to be a value-based method? what is the difference between SAC and PPO that SAC is hybrid and PPO is not? Thanks in advance ​ https://preview.redd.it/r05j39rx69ga1.png?width=987&format=png&auto=webp&s=e230bf62944d9d2572e5fe6fbe204ef5eba250b0 submitted by /u/ahmadreza_hadi [link] [comments]  ( 42 min )

I've been reading this paper (Financial Trading as a Game: A Deep Reinforcement Learning Approach) and have been wondering about something they try in there. I'm still quite new to Q Learning so maybe I've yet to fully understand things... However, they propose a scheme where at each time step they can calculate the reward for the step that was taken and also the rewards for the other possible actions at that step. Intuitively it makes a lot of sense to me - we can learn more from each step without having to do more random exploration. But I immediately thought that there are probably quite a few areas of RL where we could benefit from the same thing (outside of financial trading). So my question is, given how intuitively smart this approach seems, why isn't it more broadly adopted already? What did I miss? submitted by /u/jarym [link] [comments]  ( 43 min )

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I am looking at this PPO implementation, which follows the pseudocode given in Spinning Up. This implementation has been really easy to follow and I understand almost everything. However, I am lost in line 103, where the author computes the normalized advantage before the rollout - A_k = (A_k - A_k.mean()) / (A_k.std() + 1e-10) Moreover, within the rollout loop, the author goes ahead to recalculate the value, but uses the original advantage while computing the surrogate losses - for _ in range(self.n_updates_per_iteration): # ALG STEP 6 & 7 # Calculate V_phi and pi_theta(a_t | s_t) V, curr_log_probs = self.evaluate(batch_obs, batch_acts) # Calculate surrogate losses. surr1 = ratios * A_k surr2 = torch.clamp(ratios, 1 - self.clip, 1 + self.clip) * A_k The author also wrote a medium article about this implementation and wrote the following - ​ https://preview.redd.it/195482c373ga1.png?width=845&format=png&auto=webp&s=0624c10056311ce9d31b98fd4563a8f7acff39f8 ​ But in the rollouts, the author updates V(value) without updating A (the advantage). submitted by /u/Academic-Rent7800 [link] [comments]  ( 44 min )

Is this a thing? To combine game tree search like minimax (or alpha-beta pruning) with neural networks that model the value function of a state? I think Alpha Go did something similar but with Monre Carlo Search Trees and it also had a policy network. How would I go on about training said neural network? I am thinking, first as a supervised task where the target values are heuristic evaluation functions and then finw tuning with some kind of RL but I don't know what. submitted by /u/SupremeChampionOfDi [link] [comments]  ( 44 min )

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I saw recently a lot of roadblocks that we thought AI will struggle with (Like making art) have easier crossed even with the narrow AI (ML) we have. I feel a lot of limits we thought ai might have like thinking outside the box, understanding concepts, self-awareness, or lacking a 'soul' are all kinda subjective that can be overcome with the invention of AGI and ASI in the coming decades. Then they will grow behind human comprehension. So are there actual hard limitations (if any) Ais will encounter that are actually very hard or maybe never able to overcome? submitted by /u/uswhole [link] [comments]  ( 41 min )

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GhatGPT is an amazing tool no doubt even in the prototype version and they are continuously improving at an incredible rate. But the thing is, all these three giants (Apple, Amazon and Google) have their incredible voice assistances. They do similar job of finding a different requested results on web etc. Apple is already adding new health support features. Google maps might make it more helpful for searches related to geographical regions. And again they probably have more user data from millions of users. What make it so different from them and how difficult it would be for them to create their own version as they have a lot more resources and data. submitted by /u/JaurasiD [link] [comments]  ( 41 min )

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I'm working on an AI project and looking for an open-source text2music or text2audio model that I can incorporate into a website to experiment with. I'm aware of models like MusicLM and VALL-E but those haven't been released as APIs yet. I've also come across AudioGen and Mousai but same issues there. Does anyone happen to have a suggestion for a text2music model that is OSS and fairly accessible to incorporate into a web app? Looking for the best OSS model out there, but also open to the best text2audio that anyone would recommend - just looking to get text2audio working. Any suggestions from prior experience would be hugely helpful. Thanks very much in advance! submitted by /u/dmalikmusic [link] [comments]  ( 41 min )

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https://www.udemy.com/course/chatgpt-bot/?couponCode=5-DAYS-FREE Hey everyone, I recently made a course about ChatGPT as a fun passion project. This is for anyone who wants to learn how to create automated workflows (using Chrome extensions) with ChatGPT. Specifically, you will create a ChatGPT bot that automatically answers your emails. It is beginner friendly and includes getting some good practice with JavaScript. I hope you enjoy it and I'm looking forward to your feedback/questions :) submitted by /u/neuromodel [link] [comments]  ( 41 min )

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https://www.youtube.com/watch?v=8TOgN-U0ask&t=1s After the Lensa AI controversy led many people to question whether AI really is creative or is it just "remixing" other artists' copyrighted work used with permission, it has led many to wonder whether AI trained on copyrighted images should be illegal. This talk makes some interesting comparisons which might just mean the answer is no. submitted by /u/BearNo21 [link] [comments]  ( 41 min )

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I'm creating https://domore.ai/ - a catalog of 1000+ AI tools. The goal is to provide individuals and organizations with the latest information on AI tools. I'd love to hear any feedback you have for me, so feel free to share your thoughts :) submitted by /u/bart_so [link] [comments]  ( 41 min )

I've been trying rasa for some time and got into a problem, the ai detects the intents perfectly but it doesn't pick up the entities. anyone can help me with it? submitted by /u/skychi_ [link] [comments]  ( 40 min )

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Hello everyone, I am trying to implement DenseNet from scratch with some improvement for my project. When I fit my model, I am seeing that my validation accuracy fluctuating but my test accuracy is almost 96%. Is this fluctuation sign of the overfitting or how can I comment about this? I would be appreciate for any help. Thank you in advance. ​ ​ https://preview.redd.it/jtybvrt3z8ga1.png?width=778&format=png&auto=webp&s=75ec1a2ab9e2b60854bc92f361e203d825e9ca62 submitted by /u/Hungry-Engineer-5696 [link] [comments]  ( 41 min )

submitted by /u/oridnary_artist [link] [comments]  ( 40 min )

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Say I wanted to do a KNN similarity search, using a text embedding from a block of text from a PDF. But I also want to find these documents written at a similar time, and with similar title and author. Would it make sense to prepend a written form of this metadata ahead of the document text, and sending that to the embedding? Like “this document titled ABC was written by XYZ on January 1, 2020”. Or would it be better to create a separate embedding for the metadata, and merge the embeddings afterwards? submitted by /u/DeadPukka [link] [comments]  ( 43 min )

Looking for ideas to start an NLP project, I'd like to explore something not too mainstream or novel to some extent, any ideas or datasets I should check out? submitted by /u/mems_m [link] [comments]  ( 42 min )

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I have performed below steps and require guidance to proceed further I have extracted and preprocessed the text from PDFs. Performed NER on the extracted text and created a data frame of entities. Created a function to preprocess the query and identified the entities in the question. Now I need guidance or any reference to perform the below steps. Match the entities from the question with the entities in the PDF text and retrieve the paragraph ? Calculate the similarity score for each paragraph and display the relevant paragraph Generate answer from the identified paragraph ? Please also guide me if the approach followed is correct or not ? submitted by /u/sasi_0212 [link] [comments]  ( 43 min )

It seems like Singular Value Decomposition is only used for unsupervised learning when trying to reduce the number of features in a high dimensional dataset, but I was wondering why I don't see any articles or literature on using SVD for supervised learning. I know that using a regularization function like Lasso (L1) can get rid of irrelevant features, but I don't see why SVD wouldn't be helpful too. submitted by /u/TemperatureOk6810 [link] [comments]  ( 43 min )

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I have been working on information extraction from documents, but what I got to know is there are not enough free tools available for labelling data for these kind of tasks. Are there any free tools available for labelling data for LayoutLM models? submitted by /u/TensorDudee [link] [comments]  ( 42 min )

Hi, I've done some programming type things before and I'm interested in learning about ML, to be able to make some basic projects with ML, how good does my math need to be. I get As at school in math but I know that what I'm learning now is pretty basic. I'm just wondering whether I should try learn about ML or wait a few more years for my math skills to improve submitted by /u/Daniel_C_____ [link] [comments]  ( 45 min )

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Hi everyone, I'm currently knees-deep in a ML project with a friend (~4 months of development) and my free compute units on Colab finally ran out. After searching for alternatives, and finding none that work as smoothly as Colab, we've considered to buy a Pro subscription. My question is: How can I share the compute units I'll get from Colab Pro with said friend? Don't want to make the purchase and later realize that I'm the only person with access to those compute units. submitted by /u/RaphDaPingu [link] [comments]  ( 43 min )

Maybe not a Machine Learning question, but I'm searching for good books about information retrieval. The two primary ones I can find are: - Introduction to Information Retrieval (2008) - Information Retrieval - Implementing and Evaluating Search Engines (2016) ​ They seem a bit old for 2023, but they may still be useful? Do you have any good book recommendations? submitted by /u/Ggronne [link] [comments]  ( 44 min )

Hi guys! I read a lot of offline RL papers in last Fall semester and choose it as my course project. Offline RL seems to be a very hot topic in recent years, I believe that the major challenge for offline RL are (i) distribution shift and (ii) overestimation. The second challenge is caused by (i), because the learners/agents will never allow to interact with the true environment and they will too optimistic for unseen state-actions. Hence, there are many papers to address such challenges, e.g., CQL and MOPO. However can these methods handle misleading datasets? Consider the following example. Suppose we have only one state (MAB) and two arms. The reward of the first arm will return 2/3 with probability 1 and the reward model of second arm is Bernoulli distribution with p=1/2. Clearly, choosing the first arm is the best choice. Now, for the dataset, unfortunately, all samples on the second arm received reward 1. Because the agent only can access this misleading dataset, if we use Bayesian methods, then the posterior will give a high score for the second arm. If we use Lower Confidence Bound, we need to count the occurrence of each arm. Then, this is very hard to extend this method to MDPs with arbitrary large state and action space. So, does anyone know a function can capture this uncertainty (caused by the dataset) or can any methods to tell the learner that you’re in a very misleading situation? submitted by /u/AndyMeowMeow [link] [comments]  ( 44 min )

From the Financial Times: https://www.ft.com/content/583ead66-467c-4bd5-84d0-ed5df7b5bf9c Unpaywalled: https://archive.is/ciZPV I guess I'm a little surprised, this feels like Google backing a competitor to 1) their own Google Brain teams, and 2) Deepmind. The cynical take might be that they're trying to lock in Anthropic; the same way Microsoft locked in OpenAI. submitted by /u/bikeskata [link] [comments]  ( 47 min )

I’ve been developing this idea since I first thought of it in mid December last year. Here’s the elevator pitch (skip to how for technical details): Why? Existing models and learning algorithms are extremely static and unable to generalize across tasks as well as humans or to adapt well to new / changing business requirements. This even applies to the final solutions in recent AutoML (see An Empirical Review of Automated Machine Learning, AutoML: A survey of the state-of-the-art). Beyond being static, most suffer from a need for high-performance systems with large amounts of compute and/or memory. This static and bloated nature not only limits the reusability of code, pipelines and all the computations that went into previous versions of a model architecture upon finding a better one. It…  ( 47 min )

Paper: https://arxiv.org/abs/2302.00923 Github: https://github.com/amazon-science/mm-cot Twitter: https://paperswithcode.com/top-social Abstract: Large language models (LLMs) have shown impressive performance on complex reasoning by leveraging chain-of-thought (CoT) prompting to generate intermediate reasoning chains as the rationale to infer the answer. However, existing CoT studies are mostly isolated in the language modality with LLMs, where LLMs are hard to deploy. To elicit CoT reasoning in multimodality, a possible solution is to fine-tune small language models by fusing the vision and language features to perform CoT reasoning. The key challenge is that those language models tend to generate hallucinated reasoning chains that mislead the answer inference. To mitigate the effect of such mistakes, we propose Multimodal-CoT that incorporates vision features in a decoupled training framework. The framework separates the rationale generation and answer inference into two stages. By incorporating the vision features in both stages, the model is able to generate effective rationales that contribute to answer inference. With Multimodal-CoT, our model under 1 billion parameters outperforms the previous state-of-the-art LLM (GPT-3.5) by 16% (75.17%->91.68%) on the ScienceQA benchmark and even surpasses human performance. https://preview.redd.it/g9eo0f94k1ga1.jpg?width=1331&format=pjpg&auto=webp&s=9b5fc84b424aff7160b69ff7c7a5fad071cbb7d2 https://preview.redd.it/fgboci94k1ga1.jpg?width=1323&format=pjpg&auto=webp&s=35215544d9e0a74881c42503d04b62ab09081af1 https://preview.redd.it/2ojfym94k1ga1.jpg?width=1660&format=pjpg&auto=webp&s=cf040c4f422f6c323e8c4d75474a5881f45a41d1 https://preview.redd.it/k7huem94k1ga1.jpg?width=1326&format=pjpg&auto=webp&s=f4326a5088744d3856e5c5c23311be6348fab924 https://preview.redd.it/05m8rf94k1ga1.jpg?width=658&format=pjpg&auto=webp&s=ac4110e57a49fcea6f8c03571edd391ff71bd13d submitted by /u/Singularian2501 [link] [comments]  ( 47 min )

Hey ML Reddit! I just shipped a project I’ve been working on called Maroofy: https://maroofy.com You can search for any song, and it’ll use the song’s audio to find other similar-sounding music. Demo: https://twitter.com/subby_tech/status/1621293770779287554 How does it work? I’ve indexed ~120M+ songs from the iTunes catalog with a custom AI audio model that I built for understanding music. My model analyzes raw music audio as input and produces embedding vectors as output. I then store the embedding vectors for all songs into a vector database, and use semantic search to find similar music! Here are some examples you can try: Fetish (Selena Gomez feat. Gucci Mane) — https://maroofy.com/songs/1563859943 The Medallion Calls (Pirates of the Caribbean) — https://maroofy.com/songs/1440649752 Hope you like it! This is an early work in progress, so would love to hear any questions/feedback/comments! :D submitted by /u/BullyMaguireJr [link] [comments]  ( 52 min )

Github: https://github.com/google/vizier Google AI Blog: https://ai.googleblog.com/2023/02/open-source-vizier-towards-reliable-and.html Tweet from Zoubin Ghahramani: https://twitter.com/ZoubinGhahrama1/status/1621321675936768000?s=20&t=ZEuz9oSc_GWYxixtXDskqA submitted by /u/enderlayer [link] [comments]  ( 43 min )

Hello everyone, I'm interested in diving into the field of computer vision and I recently came across the concept of Vision Transformer (ViT). I want to understand this concept in depth but I'm not sure what prerequisites I need to have in order to grasp the concept fully. Do I need to have a strong background in Recurrent Neural Networks (RNNs) and Transformer (Attention Is All You Need) to understand ViT, or can I get by just knowing the basics of deep learning and Convolutional Neural Networks (CNNs)? I would really appreciate if someone could shed some light on this and provide some guidance. Thank you in advance! submitted by /u/SAbdusSamad [link] [comments]  ( 7 min )

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In this article (https://dallasinnovates.com/exclusive-qa-john-carmacks-different-path-to-artificial-general-intelligence/) there is a quote from John Carmack that read: "I asked Ilya Sutskever, OpenAI’s chief scientist, for a reading list. He gave me a list of like 40 research papers and said, ‘If you really learn all of these, you’ll know 90% of what matters today. " My question is, what are these 40 papers? submitted by /u/Gryphx [link] [comments]  ( 42 min )

​ sample chat with my annoyed neighbor I built ChatFAI about a month ago. It's a simple web app that allows you to interact with your favorite characters from movies, TV shows, books, history, and beyond. People are having fun talking to whomever they want to talk to. There is a public characters library and you can also create custom characters based on anyone (or even your imagination). I have been actively improving it and have made it much better recently. So, I wanted to share it here to get feedback. The reason for sharing it here is I want feedback from you all. Let me know if there is anything else I should add or change. Here it is: https://chatfai.com submitted by /u/usamaejazch [link] [comments]  ( 42 min )

Is there any work on applying Augmented Lagrangian method to constrained MDP problems that guarantee the constraint satisfaction as iterations goes? I tried to find but haven't got much result yet. Thanks for sharing any hints! submitted by /u/Sad-Dragonfruit-274 [link] [comments]  ( 41 min )

Hi, my agent is not working well, I feel like my reward function is not efficient. I'm trying to solve a control problem using the reinforcemnt learning, so my reward function was made with the state cost function. for example, reward = previous cost - current cost. so if the agent gets closer to the destination or makes any better control, it receives a positive reward. Otherwise, it will get a negative reward. but I don't think this is efficient.. Can anyone give me advice? Thanks all ​ https://preview.redd.it/rzf78ykzs0ga1.png?width=559&format=png&auto=webp&s=3f4cadb96f16eec59d221ab2b7f50f6839cf8ab6 submitted by /u/sonlightinn [link] [comments]  ( 42 min )

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Can someone please help with this question - https://ai.stackexchange.com/questions/39029/why-does-advantage-learning-help-function-approximators submitted by /u/Academic-Rent7800 [link] [comments]  ( 43 min )

Posted by Zvika Ben-Haim and Omer Nevo, Software Engineers, Google Research As global temperatures rise, wildfires around the world are becoming more frequent and more dangerous. Their effects are felt by many communities as people evacuate their homes or suffer harm even from proximity to the fire and smoke. As part of Google’s mission to help people access trusted information in critical moments, we use satellite imagery and machine learning (ML) to track wildfires and inform affected communities. Our wildfire tracker was recently expanded. It provides updated fire boundary information every 10–15 minutes, is more accurate than similar satellite products, and improves on our previous work. These boundaries are shown for large fires in the continental US, Mexico, and most of Cana…  ( 92 min )

As the Internet of Things (IoT) continues to gain more traction at a rapid pace, there is growing demand and need for the development of apps driven by this technology. However, this leaves businesses with a challenging question: which development tool to use for creating such apps? The simple answer is .NET. It is a… Read More »IoT Project: Why Is .NET The Best Choice? The post IoT Project: Why Is .NET The Best Choice? appeared first on Data Science Central.  ( 19 min )

Online prediction from experts is a fundamental problem in machine learning and several works have studied this problem under privacy constraints. We propose and analyze new algorithms for this problem that improve over the regret bounds of the best existing algorithms for non-adaptive adversaries. For approximate differential privacy, our algorithms achieve regret bounds of $\tilde{O}(\sqrt{T \log d} + \log d/\varepsilon)$ for the stochastic setting and $\tilde O(\sqrt{T \log d} + T^{1/3} \log d/\varepsilon)$ for oblivious adversaries (where $d$ is the number of experts). For pure DP, our algorithms are the first to obtain sub-linear regret for oblivious adversaries in the high-dimensional regime $d \ge T$. Moreover, we prove new lower bounds for adaptive adversaries. Our results imply that unlike the non-private setting, there is a strong separation between the optimal regret for adaptive and non-adaptive adversaries for this problem. Our lower bounds also show a separation between pure and approximate differential privacy for adaptive adversaries where the latter is necessary to achieve the non-private $O(\sqrt{T})$ regret.  ( 2 min )

In the age of big data and interpretable machine learning, approaches need to work at scale and at the same time allow for a clear mathematical understanding of the method's inner workings. While there exist inherently interpretable semi-parametric regression techniques for large-scale applications to account for non-linearity in the data, their model complexity is still often restricted. One of the main limitations are missing interactions in these models, which are not included for the sake of better interpretability, but also due to untenable computational costs. To address this shortcoming, we derive a scalable high-order tensor product spline model using a factorization approach. Our method allows to include all (higher-order) interactions of non-linear feature effects while having computational costs proportional to a model without interactions. We prove both theoretically and empirically that our methods scales notably better than existing approaches, derive meaningful penalization schemes and also discuss further theoretical aspects. We finally investigate predictive and estimation performance both with synthetic and real data.  ( 2 min )

The use of Artificial Intelligence (AI) in the real estate market has been growing in recent years. In this paper, we propose a new method for property valuation that utilizes self-supervised vision transformers, a recent breakthrough in computer vision and deep learning. Our proposed algorithm uses a combination of machine learning, computer vision and hedonic pricing models trained on real estate data to estimate the value of a given property. We collected and pre-processed a data set of real estate properties in the city of Boulder, Colorado and used it to train, validate and test our algorithm. Our data set consisted of qualitative images (including house interiors, exteriors, and street views) as well as quantitative features such as the number of bedrooms, bathrooms, square footage, lot square footage, property age, crime rates, and proximity to amenities. We evaluated the performance of our model using metrics such as Root Mean Squared Error (RMSE). Our findings indicate that these techniques are able to accurately predict the value of properties, with a low RMSE. The proposed algorithm outperforms traditional appraisal methods that do not leverage property images and has the potential to be used in real-world applications.  ( 2 min )

This effort is focused on examining the behavior of reinforcement learning systems in personalization environments and detailing the differences in policy entropy associated with the type of learning algorithm utilized. We demonstrate that Policy Optimization agents often possess low-entropy policies during training, which in practice results in agents prioritizing certain actions and avoiding others. Conversely, we also show that Q-Learning agents are far less susceptible to such behavior and generally maintain high-entropy policies throughout training, which is often preferable in real-world applications. We provide a wide range of numerical experiments as well as theoretical justification to show that these differences in entropy are due to the type of learning being employed.  ( 2 min )

Learning-based behavior prediction methods are increasingly being deployed in real-world autonomous systems, e.g., in fleets of self-driving vehicles, which are beginning to commercially operate in major cities across the world. Despite their advancements, however, the vast majority of prediction systems are specialized to a set of well-explored geographic regions or operational design domains, complicating deployment to additional cities, countries, or continents. Towards this end, we present a novel method for efficiently adapting behavior prediction models to new environments. Our approach leverages recent advances in meta-learning, specifically Bayesian regression, to augment existing behavior prediction models with an adaptive layer that enables efficient domain transfer via offline fine-tuning, online adaptation, or both. Experiments across multiple real-world datasets demonstrate that our method can efficiently adapt to a variety of unseen environments.  ( 2 min )

Optimal transport (OT) has become exceedingly popular in machine learning, data science, and computer vision. The core assumption in the OT problem is the equal total amount of mass in source and target measures, which limits its application. Optimal Partial Transport (OPT) is a recently proposed solution to this limitation. Similar to the OT problem, the computation of OPT relies on solving a linear programming problem (often in high dimensions), which can become computationally prohibitive. In this paper, we propose an efficient algorithm for calculating the OPT problem between two non-negative measures in one dimension. Next, following the idea of sliced OT distances, we utilize slicing to define the sliced OPT distance. Finally, we demonstrate the computational and accuracy benefits of the sliced OPT-based method in various numerical experiments. In particular, we show an application of our proposed Sliced-OPT in noisy point cloud registration.  ( 2 min )

The financial markets, which involve more than $90 trillion in market capitalization, attract the attention of innumerable investors around the world. Recently, reinforcement learning in financial markets (FinRL) emerges as a promising direction to train agents for making profitable investment decisions. However, the evaluation of most FinRL methods only focus on profit-related measures, which are far from satisfactory for practitioners to deploy these methods into real-world financial markets. Therefore, we introduce PRUDEX-Compass, which has 6 axes, i.e., Profitability, Risk-control, Universality, Diversity, rEliability, and eXplainability, with a total of 17 measures for a systematic evaluation. Specifically, i) we propose AlphaMix+ as a strong FinRL baseline, which leverages Mixture-of-Experts (MoE) and risk-10 sensitive approaches to make diversified risk-aware investment decisions, ii) we11 evaluate 8 widely used FinRL methods in 4 long-term real-world datasets of influential financial markets to demonstrate the usage of our PRUDEX-Compass, iii) PRUDEX-Compass1 together with 4 real-world datasets, standard implementation of 8 FinRL methods and a portfolio management RL environment is released as public resources to facilitate the design and comparison of new FinRL methods. We hope that PRUDEX-Compass can shed light on future FinRL research to prevent untrustworthy results from stagnating FinRL into successful industry deployment.  ( 2 min )

Online reinforcement learning and other adaptive sampling algorithms are increasingly used in digital intervention experiments to optimize treatment delivery for users over time. In this work, we focus on longitudinal user data collected by a large class of adaptive sampling algorithms that are designed to optimize treatment decisions online using accruing data from multiple users. Combining or "pooling" data across users allows adaptive sampling algorithms to potentially learn faster. However, by pooling, these algorithms induce dependence between the collected user data trajectories; we show that this can cause standard variance estimators for i.i.d. data to underestimate the true variance of common estimators on this data type. We develop novel methods to perform a variety of statistical analyses on such adaptively collected data via Z-estimation. Specifically, we introduce the adaptive sandwich variance estimator, a corrected sandwich estimator that leads to consistent variance estimates under adaptive sampling. Additionally, to prove our results we develop significant theory for empirical processes on non-i.i.d., adaptively collected, longitudinal data. This work is motivated by our efforts in designing experiments in which online reinforcement learning algorithms pool data across users to learn to optimize treatment decisions, yet reliable statistical inference is essential for conducting a variety of statistical analyses after the experiment is over.  ( 2 min )

The higher speed, scalability and parallelism offered by ReRAM crossbar arrays foster development of ReRAM-based next generation AI accelerators. At the same time, sensitivity of ReRAM to temperature variations decreases R_on/Roff ratio and negatively affects the achieved accuracy and reliability of the hardware. Various works on temperature-aware optimization and remapping in ReRAM crossbar arrays reported up to 58\% improvement in accuracy and 2.39$\times$ ReRAM lifetime enhancement. This paper classifies the challenges caused by thermal heat, starting from constraints in ReRAM cells' dimensions and characteristics to their placement in the architecture. In addition, it reviews available solutions designed to mitigate the impact of these challenges, including emerging temperature-resilient DNN training methods. Our work also provides a summary of the techniques and their advantages and limitations.  ( 2 min )

Hierarchical Clustering is a popular unsupervised machine learning method with decades of history and numerous applications. We initiate the study of differentially private approximation algorithms for hierarchical clustering under the rigorous framework introduced by (Dasgupta, 2016). We show strong lower bounds for the problem: that any $\epsilon$-DP algorithm must exhibit $O(|V|^2/ \epsilon)$-additive error for an input dataset $V$. Then, we exhibit a polynomial-time approximation algorithm with $O(|V|^{2.5}/ \epsilon)$-additive error, and an exponential-time algorithm that meets the lower bound. To overcome the lower bound, we focus on the stochastic block model, a popular model of graphs, and, with a separation assumption on the blocks, propose a private $1+o(1)$ approximation algorithm which also recovers the blocks exactly. Finally, we perform an empirical study of our algorithms and validate their performance.  ( 2 min )

This work proposes a new method to sequentially train deep neural networks on multiple tasks without suffering catastrophic forgetting, while endowing it with the capability to quickly adapt to unseen tasks. Starting from existing work on network masking (Wortsman et al., 2020), we show that simply learning a linear combination of a small number of task-specific supermasks (impressions) on a randomly initialized backbone network is sufficient to both retain accuracy on previously learned tasks, as well as achieve high accuracy on unseen tasks. In contrast to previous methods, we do not require to generate dedicated masks or contexts for each new task, instead leveraging transfer learning to keep per-task parameter overhead small. Our work illustrates the power of linearly combining individual impressions, each of which fares poorly in isolation, to achieve performance comparable to a dedicated mask. Moreover, even repeated impressions from the same task (homogeneous masks), when combined, can approach the performance of heterogeneous combinations if sufficiently many impressions are used. Our approach scales more efficiently than existing methods, often requiring orders of magnitude fewer parameters and can function without modification even when task identity is missing. In addition, in the setting where task labels are not given at inference, our algorithm gives an often favorable alternative to the one-shot procedure used by Wortsman et al., 2020. We evaluate our method on a number of well-known image classification datasets and network architectures.  ( 2 min )

Few-shot learning involves learning an effective model from only a few labeled datapoints. The use of a small training set makes it difficult to avoid overfitting but also makes few-shot learning applicable to many important real-world settings. In this work, we focus on Few-shot Learning with Auxiliary Data (FLAD), a training paradigm that assumes access to auxiliary data during few-shot learning in hopes of improving generalization. Introducing auxiliary data during few-shot learning leads to essential design choices where hand-designed heuristics can lead to sub-optimal performance. In this work, we focus on automated sampling strategies for FLAD and relate them to the explore-exploit dilemma that is central in multi-armed bandit settings. Based on this connection we propose two algorithms -- EXP3-FLAD and UCB1-FLAD -- and compare them with methods that either explore or exploit, finding that the combination of exploration and exploitation is crucial. Using our proposed algorithms to train T5 yields a 9% absolute improvement over the explicitly multi-task pre-trained T0 model across 11 datasets.

Large-scale, two-sided matching platforms must find market outcomes that align with user preferences while simultaneously learning these preferences from data. Classical notions of stability (Gale and Shapley, 1962; Shapley and Shubik, 1971) are unfortunately of limited value in the learning setting, given that preferences are inherently uncertain and destabilizing while they are being learned. To bridge this gap, we develop a framework and algorithms for learning stable market outcomes under uncertainty. Our primary setting is matching with transferable utilities, where the platform both matches agents and sets monetary transfers between them. We design an incentive-aware learning objective that captures the distance of a market outcome from equilibrium. Using this objective, we analyze the complexity of learning as a function of preference structure, casting learning as a stochastic multi-armed bandit problem. Algorithmically, we show that "optimism in the face of uncertainty," the principle underlying many bandit algorithms, applies to a primal-dual formulation of matching with transfers and leads to near-optimal regret bounds. Our work takes a first step toward elucidating when and how stable matchings arise in large, data-driven marketplaces.

Machine learning models can be improved by adapting them to respect existing background knowledge. In this paper we consider multitask Gaussian processes, with background knowledge in the form of constraints that require a specific sum of the outputs to be constant. This is achieved by conditioning the prior distribution on the constraint fulfillment. The approach allows for both linear and nonlinear constraints. We demonstrate that the constraints are fulfilled with high precision and that the construction can improve the overall prediction accuracy as compared to the standard Gaussian process.

Many compression techniques have been proposed to reduce the communication overhead of Federated Learning training procedures. However, these are typically designed for compressing model updates, which are expected to decay throughout training. As a result, such methods are inapplicable to downlink (i.e., from the parameter server to clients) compression in the cross-device setting, where heterogeneous clients $\textit{may appear only once}$ during training and thus must download the model parameters. In this paper, we propose a new framework ($\texttt{DoCoFL}$) for downlink compression in the cross-device federated learning setting. Importantly, $\texttt{DoCoFL}$ can be seamlessly combined with many uplink compression schemes, rendering it suitable for bi-directional compression. Through extensive evaluation, we demonstrate that $\texttt{DoCoFL}$ offers significant bi-directional bandwidth reduction while achieving competitive accuracy to that of $\texttt{FedAvg}$ without compression.

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size $NO \times NO$, taking $O((NO)^2)$ memory and up to $O((NO)^3)$ computation. Most existing applications have therefore used one of a handful of approximations yielding $N \times N$ kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

In this paper we examine the relationship between the flow of the replicator dynamic, the continuum limit of Multiplicative Weights Update, and a game's response graph. We settle an open problem establishing that under the replicator, sink chain components -- a topological notion of long-run outcome of a dynamical system -- always exist and are approximated by the sink connected components of the game's response graph. More specifically, each sink chain component contains a sink connected component of the response graph, as well as all mixed strategy profiles whose support consists of pure profiles in the same connected component, a set we call the content of the connected component. As a corollary, all profiles are chain recurrent in games with strongly connected response graphs. In any two-player game sharing a response graph with a zero-sum game, the sink chain component is unique. In two-player zero-sum and potential games the sink chain components and sink connected components are in a one-to-one correspondence, and we conjecture that this holds in all games.

Background: While deep learning technology, which has the capability of obtaining latent representations based on large-scale data, can be a potential solution for the discovery of a novel aging biomarker, existing deep learning methods for biological age estimation usually depend on chronological ages and lack of consideration of mortality and morbidity that are the most significant outcomes of aging. Methods: This paper proposes a novel deep learning model to learn latent representations of biological aging in regard to subjects' morbidity and mortality. The model utilizes health check-up data in addition to morbidity and mortality information to learn the complex relationships between aging and measured clinical attributes. Findings: The proposed model is evaluated on a large dataset of general populations compared with KDM and other learning-based models. Results demonstrate that biological ages obtained by the proposed model have superior discriminability of subjects' morbidity and mortality.

Machine learning algorithms based on parametrized quantum circuits are prime candidates for near-term applications on noisy quantum computers. In this direction, various types of quantum machine learning models have been introduced and studied extensively. Yet, our understanding of how these models compare, both mutually and to classical models, remains limited. In this work, we identify a constructive framework that captures all standard models based on parametrized quantum circuits: that of linear quantum models. In particular, we show using tools from quantum information theory how data re-uploading circuits, an apparent outlier of this framework, can be efficiently mapped into the simpler picture of linear models in quantum Hilbert spaces. Furthermore, we analyze the experimentally-relevant resource requirements of these models in terms of qubit number and amount of data needed to learn. Based on recent results from classical machine learning, we prove that linear quantum models must utilize exponentially more qubits than data re-uploading models in order to solve certain learning tasks, while kernel methods additionally require exponentially more data points. Our results provide a more comprehensive view of quantum machine learning models as well as insights on the compatibility of different models with NISQ constraints.

Being able to harness the power of large, static datasets for developing autonomous multi-agent systems could unlock enormous value for real-world applications. Many important industrial systems are multi-agent in nature and are difficult to model using bespoke simulators. However, in industry, distributed system processes can often be recorded during operation, and large quantities of demonstrative data can be stored. Offline multi-agent reinforcement learning (MARL) provides a promising paradigm for building effective online controllers from static datasets. However, offline MARL is still in its infancy, and, therefore, lacks standardised benchmarks, baselines and evaluation protocols typically found in more mature subfields of RL. This deficiency makes it difficult for the community to sensibly measure progress. In this work, we aim to fill this gap by releasing \emph{off-the-grid MARL (OG-MARL)}: a framework for generating offline MARL datasets and algorithms. We release an initial set of datasets and baselines for cooperative offline MARL, created using the framework, along with a standardised evaluation protocol. Our datasets provide settings that are characteristic of real-world systems, including complex dynamics, non-stationarity, partial observability, suboptimality and sparse rewards, and are generated from popular online MARL benchmarks. We hope that OG-MARL will serve the community and help steer progress in offline MARL, while also providing an easy entry point for researchers new to the field.

Decentralized Exchanges (DEXs) are new types of marketplaces leveraging Blockchain technology. They allow users to trade assets with Automatic Market Makers (AMM), using funds provided by liquidity providers, removing the need for order books. One such DEX, Uniswap v3, allows liquidity providers to allocate funds more efficiently by specifying an active price interval for their funds. This introduces the problem of finding an optimal strategy for choosing price intervals. We formalize this problem as an online learning problem with non-stochastic rewards. We use regret-minimization methods to show a liquidity provision strategy that guarantees a lower bound on the reward. This is true even for non-stochastic changes to asset pricing, and we express this bound in terms of the trading volume.

There are several approaches for encoding source code in the input vectors of neural models. These approaches attempt to include various syntactic and semantic features of input programs in their encoding. In this paper, we investigate Code2Snapshot, a novel representation of the source code that is based on the snapshots of input programs. We evaluate several variations of this representation and compare its performance with state-of-the-art representations that utilize the rich syntactic and semantic features of input programs. Our preliminary study on the utility of Code2Snapshot in the code summarization and code classification tasks suggests that simple snapshots of input programs have comparable performance to state-of-the-art representations. Interestingly, obscuring input programs have insignificant impacts on the Code2Snapshot performance, suggesting that, for some tasks, neural models may provide high performance by relying merely on the structure of input programs.

We present Cross-Client Label Propagation(XCLP), a new method for transductive federated learning. XCLP estimates a data graph jointly from the data of multiple clients and computes labels for the unlabeled data by propagating label information across the graph. To avoid clients having to share their data with anyone, XCLP employs two cryptographically secure protocols: secure Hamming distance computation and secure summation. We demonstrate two distinct applications of XCLP within federated learning. In the first, we use it in a one-shot way to predict labels for unseen test points. In the second, we use it to repeatedly pseudo-label unlabeled training data in a federated semi-supervised setting. Experiments on both real federated and standard benchmark datasets show that in both applications XCLP achieves higher classification accuracy than alternative approaches.

We develop an extension of posterior sampling for reinforcement learning (PSRL) that is suited for a continuing agent-environment interface and integrates naturally into agent designs that scale to complex environments. The approach, continuing PSRL, maintains a statistically plausible model of the environment and follows a policy that maximizes expected $\gamma$-discounted return in that model. At each time, with probability $1-\gamma$, the model is replaced by a sample from the posterior distribution over environments. For a choice of discount factor that suitably depends on the horizon $T$, we establish an $\tilde{O}(\tau S \sqrt{A T})$ bound on the Bayesian regret, where $S$ is the number of environment states, $A$ is the number of actions, and $\tau$ denotes the reward averaging time, which is a bound on the duration required to accurately estimate the average reward of any policy. Our work is the first to formalize and rigorously analyze the resampling approach with randomized exploration.

Short-term forecasting of solar photovoltaic energy (PV) production is important for powerplant management. Ideally these forecasts are equipped with error bars, so that downstream decisions can account for uncertainty. To produce predictions with error bars in this setting, we consider Gaussian processes (GPs) for modelling and predicting solar photovoltaic energy production in the UK. A standard application of GP regression on the PV timeseries data is infeasible due to the large data size and non-Gaussianity of PV readings. However, this is made possible by leveraging recent advances in scalable GP inference, in particular, by using the state-space form of GPs, combined with modern variational inference techniques. The resulting model is not only scalable to large datasets but can also handle continuous data streams via Kalman filtering.

Transformer and its variants are fundamental neural architectures in deep learning. Recent works show that learning attention in the Fourier space can improve the long sequence learning capability of Transformers. We argue that wavelet transform shall be a better choice because it captures both position and frequency information with a linear time complexity. Therefore, in this paper, we systematically study the synergy between wavelet transform and Transformers. Specifically, we focus on a new paradigm WISE, which replaces the attention in Transformers by (1) applying forward wavelet transform to project the input sequences to multi-resolution bases, (2) conducting non-linear transformations in the wavelet coefficient space, and (3) reconstructing the representation in input space via backward wavelet transform. Extensive experiments on the Long Range Arena benchmark demonstrate that learning attention in the wavelet space using either fixed or adaptive wavelets can consistently improve Transformer's performance and also significantly outperform Fourier-based methods.

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many scientific and engineering problems involving geometrical design, it is desirable for the surrogate models to precisely describe the change in geometry and predict the consequences. In that context, we develop graph neural networks (GNNs) as fast surrogate models for physics simulation, which allow us to directly train the models on 2/3D geometry designs that are represented by an unstructured mesh or point cloud, without the need for any explicit or hand-crafted parameterization. We utilize an encoder-processor-decoder-type architecture which can flexibly make prediction at both node level and graph level. The performance of our proposed GNN-based surrogate model is demonstrated on 2 example applications: feature designs in the domain of additive engineering and airfoil design in the domain of aerodynamics. The models show good accuracy in their predictions on a separate set of test geometries after training, with almost instant prediction speeds, as compared to O(hour) for the high-fidelity simulations required otherwise.

In this paper, we perform deep neural networks for learning $\psi$-weakly dependent processes. Such weak-dependence property includes a class of weak dependence conditions such as mixing, association,$\cdots$ and the setting considered here covers many commonly used situations such as: regression estimation, time series prediction, time series classification,$\cdots$ The consistency of the empirical risk minimization algorithm in the class of deep neural networks predictors is established. We achieve the generalization bound and obtain a learning rate, which is less than $\mathcal{O}(n^{-1/\alpha})$, for all $\alpha > 2 $. Applications to binary time series classification and prediction in affine causal models with exogenous covariates are carried out. Some simulation results are provided, as well as an application to the US recession data.

Producing thousands of simulations of the dark matter distribution in the Universe with increasing precision is a challenging but critical task to facilitate the exploitation of current and forthcoming cosmological surveys. Many inexpensive substitutes to full $N$-body simulations have been proposed, even though they often fail to reproduce the statistics of the smaller, non-linear scales. Among these alternatives, a common approximation is represented by the lognormal distribution, which comes with its own limitations as well, while being extremely fast to compute even for high-resolution density fields. In this work, we train a generative deep learning model, mainly made of convolutional layers, to transform projected lognormal dark matter density fields to more realistic dark matter maps, as obtained from full $N$-body simulations. We detail the procedure that we follow to generate highly correlated pairs of lognormal and simulated maps, which we use as our training data, exploiting the information of the Fourier phases. We demonstrate the performance of our model comparing various statistical tests with different field resolutions, redshifts and cosmological parameters, proving its robustness and explaining its current limitations. When evaluated on 100 test maps, the augmented lognormal random fields reproduce the power spectrum up to wavenumbers of $1 \ h \ \rm{Mpc}^{-1}$, and the bispectrum within 10%, and always within the error bars, of the fiducial target simulations. Finally, we describe how we plan to integrate our proposed model with existing tools to yield more accurate spherical random fields for weak lensing analysis.

To cope with real-world dynamics, an intelligent agent needs to incrementally acquire, update, accumulate, and exploit knowledge throughout its lifetime. This ability, known as continual learning, provides a foundation for AI systems to develop themselves adaptively. In a general sense, continual learning is explicitly limited by catastrophic forgetting, where learning a new task usually results in a dramatic performance drop of the old tasks. Beyond this, increasingly numerous advances have emerged in recent years that largely extend the understanding and application of continual learning. The growing and widespread interest in this direction demonstrates its realistic significance as well as complexity. In this work, we present a comprehensive survey of continual learning, seeking to bridge the basic settings, theoretical foundations, representative methods, and practical applications. Based on existing theoretical and empirical results, we summarize the general objectives of continual learning as ensuring a proper stability-plasticity trade-off and an adequate intra/inter-task generalizability in the context of resource efficiency. Then we provide a state-of-the-art and elaborated taxonomy, extensively analyzing how representative strategies address continual learning, and how they are adapted to particular challenges in various applications. Through an in-depth discussion of continual learning in terms of the current trends, cross-directional prospects and interdisciplinary connections with neuroscience, we believe that such a holistic perspective can greatly facilitate subsequent exploration in this field and beyond.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

We propose improved exact and heuristic algorithms for solving the maximum weight clique problem, a well-known problem in graph theory with many applications. Our algorithms interleave successful techniques from related work with novel data reduction rules that use local graph structure to identify and remove vertices and edges while retaining the optimal solution. We evaluate our algorithms on a range of synthetic and real-world graphs, and find that they outperform the current state of the art on most inputs. Our data reductions always produce smaller reduced graphs than existing data reductions alone. As a result, our exact algorithm, MWCRedu, finds solutions orders of magnitude faster on naturally weighted, medium-sized map labeling graphs and random hyperbolic graphs. Our heuristic algorithm, MWCPeel, outperforms its competitors on these instances, but is slightly less effective on extremely dense or large instances.

In this article, we advocate for the design of ad hoc artificial intelligence (AI)/machine learning (ML) models to facilitate their usage in future smart infrastructures based on communication networks. To motivate this, we first review key operations identified by the 3GPP for transferring AI/ML models through 5G networks and the main existing techniques to reduce their communication overheads. We also present a novel communication-aware ML framework, which we refer to as Accordion, that enables an efficient AI/ML model transfer thanks to an overhauled model training and communication protocol. We demonstrate the communication-related benefits of Accordion, analyse key performance trade-offs, and discuss potential research directions within this realm.

Recent breakthrough technological progressions of powerful mobile computing resources such as low-cost mobile GPUs along with cutting-edge, open-source software architectures have enabled high-performance deep learning on mobile platforms. These advancements have revolutionized the capabilities of today's mobile applications in different dimensions to perform data-driven intelligence locally, particularly for smart health applications. Unlike traditional machine learning (ML) architectures, modern on-device deep learning frameworks are proficient in utilizing computing resources in mobile platforms seamlessly, in terms of producing highly accurate results in less inference time. However, on the flip side, energy resources in a mobile device are typically limited. Hence, whenever a complex Deep Neural Network (DNN) architecture is fed into the on-device deep learning framework, while it achieves high prediction accuracy (and performance), it also urges huge energy demands during the runtime. Therefore, managing these resources efficiently within the spectrum of performance and energy efficiency is the newest challenge for any mobile application featuring data-driven intelligence beyond experimental evaluations. In this paper, first, we provide a timely review of recent advancements in on-device deep learning while empirically evaluating the performance metrics of current state-of-the-art ML architectures and conventional ML approaches with the emphasis given on energy characteristics by deploying them on a smart health application. With that, we are introducing a new framework through an energy-aware, adaptive model comprehension and realization (EAMCR) approach that can be utilized to make more robust and efficient inference decisions based on the available computing/energy resources in the mobile device during the runtime.

Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution. However, accurately learning a CG force field remains a challenge. In this work, we leverage connections between score-based generative models, force fields and molecular dynamics to learn a CG force field without requiring any force inputs during training. Specifically, we train a diffusion generative model on protein structures from molecular dynamics simulations, and we show that its score function approximates a force field that can directly be used to simulate CG molecular dynamics. While having a vastly simplified training setup compared to previous work, we demonstrate that our approach leads to improved performance across several small- to medium-sized protein simulations, reproducing the CG equilibrium distribution, and preserving dynamics of all-atom simulations such as protein folding events.

Numerous dual-energy CT (DECT) techniques have been developed in the past few decades. Dual-energy CT (DECT) statistical iterative reconstruction (SIR) has demonstrated its potential for reducing noise and increasing accuracy. Our lab proposed a joint statistical DECT algorithm for stopping power estimation and showed that it outperforms competing image-based material-decomposition methods. However, due to its slow convergence and the high computational cost of projections, the elapsed time of 3D DECT SIR is often not clinically acceptable. Therefore, to improve its convergence, we have embedded DECT SIR into a deep learning model-based unrolled network for 3D DECT reconstruction (MB-DECTNet) that can be trained in an end-to-end fashion. This deep learning-based method is trained to learn the shortcuts between the initial conditions and the stationary points of iterative algorithms while preserving the unbiased estimation property of model-based algorithms. MB-DECTNet is formed by stacking multiple update blocks, each of which consists of a data consistency layer (DC) and a spatial mixer layer, where the spatial mixer layer is the shrunken U-Net, and the DC layer is a one-step update of an arbitrary traditional iterative method. Although the proposed network can be combined with numerous iterative DECT algorithms, we demonstrate its performance with the dual-energy alternating minimization (DEAM). The qualitative result shows that MB-DECTNet with DEAM significantly reduces noise while increasing the resolution of the test image. The quantitative result shows that MB-DECTNet has the potential to estimate attenuation coefficients accurately as traditional statistical algorithms but with a much lower computational cost.

We address the problem of validating the ouput of clustering algorithms. Given data $\mathcal{D}$ and a partition $\mathcal{C}$ of these data into $K$ clusters, when can we say that the clusters obtained are correct or meaningful for the data? This paper introduces a paradigm in which a clustering $\mathcal{C}$ is considered meaningful if it is good with respect to a loss function such as the K-means distortion, and stable, i.e. the only good clustering up to small perturbations. Furthermore, we present a generic method to obtain post-inference guarantees of near-optimality and stability for a clustering $\mathcal{C}$. The method can be instantiated for a variety of clustering criteria (also called loss functions) for which convex relaxations exist. Obtaining the guarantees amounts to solving a convex optimization problem. We demonstrate the practical relevance of this method by obtaining guarantees for the K-means and the Normalized Cut clustering criteria on realistic data sets. We also prove that asymptotic instability implies finite sample instability w.h.p., allowing inferences about the population clusterability from a sample. The guarantees do not depend on any distributional assumptions, but they depend on the data set $\mathcal{D}$ admitting a stable clustering.

Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have thus far been held back by limitations in their simulation-based maximum likelihood training. In this paper, we introduce a new technique called conditional flow matching (CFM), a simulation-free training objective for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, our CFM objective does not require the source distribution to be Gaussian or require evaluation of its density. Based on this new objective, we also introduce optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference. Code is available at https://github.com/atong01/conditional-flow-matching .

We consider the problem of learning a target function corresponding to a deep, extensive-width, non-linear neural network with random Gaussian weights. We consider the asymptotic limit where the number of samples, the input dimension and the network width are proportionally large. We derive a closed-form expression for the Bayes-optimal test error, for regression and classification tasks. We contrast these Bayes-optimal errors with the test errors of ridge regression, kernel and random features regression. We find, in particular, that optimally regularized ridge regression, as well as kernel regression, achieve Bayes-optimal performances, while the logistic loss yields a near-optimal test error for classification. We further show numerically that when the number of samples grows faster than the dimension, ridge and kernel methods become suboptimal, while neural networks achieve test error close to zero from quadratically many samples.

Visualization Recommendation Systems (VRS) are a novel and challenging field of study, whose aim is to automatically generate insightful visualizations from data, to support non-expert users in the process of information discovery. Despite its enormous application potential in the era of big data, progress in this area of research is being held back by several obstacles among which are the absence of standardized datasets to train recommendation algorithms, and the difficulty in defining quantitative criteria to assess the effectiveness of the generated plots. In this paper, we aim not only to summarize the state-of-the-art of VRS, but also to outline promising future research directions.

The inception of spatial transcriptomics has allowed improved comprehension of tissue architectures and the disentanglement of complex underlying biological, physiological, and pathological processes through their positional contexts. Recently, these contexts, and by extension the field, have seen much promise and elucidation with the application of graph learning approaches. In particular, neural operators have risen in regards to learning the mapping between infinite-dimensional function spaces. With basic to deep neural network architectures being data-driven, i.e. dependent on quality data for prediction, neural operators provide robustness by offering generalization among different resolutions despite low quality data. Graph neural operators are a variant that utilize graph networks to learn this mapping between function spaces. The aim of this research is to identify robust machine learning architectures that integrate spatial information to predict tissue types. Under this notion, we propose a study incorporating various graph neural network approaches to validate the efficacy of applying neural operators towards prediction of brain regions in mouse brain tissue samples as a proof of concept towards our purpose. We were able to achieve an F1 score of nearly 72% for the graph neural operator approach which outperformed all baseline and other graph network approaches.

Here we utilize a low-rank tensor model (LTM) as a function approximator, combined with the gradient descent method, to solve eigenvalue problems including the Laplacian operator and the harmonic oscillator. Experimental results show the superiority of the polynomial-based low-rank tensor model (PLTM) compared to the tensor neural network (TNN). We also test such low-rank architectures for the classification problem on the MNIST dataset.

Randomized smoothing is currently the state-of-the-art method that provides certified robustness for deep neural networks. However, it often cannot achieve an adequate certified region on real-world datasets. One way to obtain a larger certified region is to use an input-specific algorithm instead of using a fixed Gaussian filter for all data points. Several methods based on this idea have been proposed, but they either suffer from high computational costs or gain marginal improvement in certified radius. In this work, we show that by exploiting the quasiconvex problem structure, we can find the optimal certified radii for most data points with slight computational overhead. This observation leads to an efficient and effective input-specific randomized smoothing algorithm. We conduct extensive experiments and empirical analysis on Cifar10 and ImageNet. The results show that the proposed method significantly enhances the certified radii with low computational overhead.

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even serendipity to a large extent, the last few decades have seen a surge of data-driven scientific discoveries. However, in order to truly leverage large-scale data sets and high-throughput experimental setups, machine learning methods will need to be further improved and better integrated in the scientific discovery pipeline. A key challenge for current machine learning methods in this context is the efficient exploration of very large search spaces, which requires techniques for estimating reducible (epistemic) uncertainty and generating sets of diverse and informative experiments to perform. This motivated a new probabilistic machine learning framework called GFlowNets, which can be applied in the modeling, hypotheses generation and experimental design stages of the experimental science loop. GFlowNets learn to sample from a distribution given indirectly by a reward function corresponding to an unnormalized probability, which enables sampling diverse, high-reward candidates. GFlowNets can also be used to form efficient and amortized Bayesian posterior estimators for causal models conditioned on the already acquired experimental data. Having such posterior models can then provide estimators of epistemic uncertainty and information gain that can drive an experimental design policy. Altogether, here we will argue that GFlowNets can become a valuable tool for AI-driven scientific discovery, especially in scenarios of very large candidate spaces where we have access to cheap but inaccurate measurements or to expensive but accurate measurements. This is a common setting in the context of drug and material discovery, which we use as examples throughout the paper.

Linearized Graph Neural Networks (GNNs) have attracted great attention in recent years for graph representation learning. Compared with nonlinear Graph Neural Network (GNN) models, linearized GNNs are much more time-efficient and can achieve comparable performances on typical downstream tasks such as node classification. Although some linearized GNN variants are purposely crafted to mitigate ``over-smoothing", empirical studies demonstrate that they still somehow suffer from this issue. In this paper, we instead relate over-smoothing with the vanishing gradient phenomenon and craft a gradient-free training framework to achieve more efficient and effective linearized GNNs which can significantly overcome over-smoothing and enhance the generalization of the model. The experimental results demonstrate that our methods achieve better and more stable performances on node classification tasks with varying depths and cost much less training time.

We study a class of reinforcement learning problems where the reward signals for policy learning are generated by a discriminator that is dependent on and jointly optimized with the policy. This interdependence between the policy and the discriminator leads to an unstable learning process because reward signals from an immature discriminator are noisy and impede policy learning, and conversely, an untrained policy impedes discriminator learning. We call this learning setting $\textit{Internally Rewarded Reinforcement Learning}$ (IRRL) as the reward is not provided directly by the environment but $\textit{internally}$ by the discriminator. In this paper, we formally formulate IRRL and present a class of problems that belong to IRRL. We theoretically derive and empirically analyze the effect of the reward function in IRRL and based on these analyses propose the clipped linear reward function. Experimental results show that the proposed reward function can consistently stabilize the training process by reducing the impact of reward noise, which leads to faster convergence and higher performance compared with baselines in diverse tasks.

The proliferation of automated data collection schemes and the advances in sensorics are increasing the amount of data we are able to monitor in real-time. However, given the high annotation costs and the time required by quality inspections, data is often available in an unlabeled form. This is fostering the use of active learning for the development of soft sensors and predictive models. In production, instead of performing random inspections to obtain product information, labels are collected by evaluating the information content of the unlabeled data. Several query strategy frameworks for regression have been proposed in the literature but most of the focus has been dedicated to the static pool-based scenario. In this work, we propose a new strategy for the stream-based scenario, where instances are sequentially offered to the learner, which must instantaneously decide whether to perform the quality check to obtain the label or discard the instance. The approach is inspired by the optimal experimental design theory and the iterative aspect of the decision-making process is tackled by setting a threshold on the informativeness of the unlabeled data points. The proposed approach is evaluated using numerical simulations and the Tennessee Eastman Process simulator. The results confirm that selecting the examples suggested by the proposed algorithm allows for a faster reduction in the prediction error.

Objective: Reliable tools to predict moyamoya disease (MMD) patients at risk for hemorrhage could have significant value. The aim of this paper is to develop three machine learning classification algorithms to predict hemorrhage in moyamoya disease. Methods: Clinical data of consecutive MMD patients who were admitted to our hospital between 2009 and 2015 were reviewed. Demographics, clinical, radiographic data were analyzed to develop artificial neural network (ANN), support vector machine (SVM), and random forest models. Results: We extracted 33 parameters, including 11 demographic and 22 radiographic features as input for model development. Of all compared classification results, ANN achieved the highest overall accuracy of 75.7% (95% CI, 68.6%-82.8%), followed by SVM with 69.2% (95% CI, 56.9%-81.5%) and random forest with 70.0% (95% CI, 57.0%-83.0%). Conclusions: The proposed ANN framework can be a potential effective tool to predict the possibility of hemorrhage among adult MMD patients based on clinical information and radiographic features.

Annotating multi-class instances is a crucial task in the field of machine learning. Unfortunately, identifying the correct class label from a long sequence of candidate labels is time-consuming and laborious. To alleviate this problem, we design a novel labeling mechanism called stochastic label. In this setting, stochastic label includes two cases: 1) identify a correct class label from a small number of randomly given labels; 2) annotate the instance with None label when given labels do not contain correct class label. In this paper, we propose a novel suitable approach to learn from these stochastic labels. We obtain an unbiased estimator that utilizes less supervised information in stochastic labels to train a multi-class classifier. Additionally, it is theoretically justifiable by deriving the estimation error bound of the proposed method. Finally, we conduct extensive experiments on widely-used benchmark datasets to validate the superiority of our method by comparing it with existing state-of-the-art methods.

In consumer theory, ranking available objects by means of preference relations yields the most common description of individual choices. However, preference-based models assume that individuals: (1) give their preferences only between pairs of objects; (2) are always able to pick the best preferred object. In many situations, they may be instead choosing out of a set with more than two elements and, because of lack of information and/or incomparability (objects with contradictory characteristics), they may not able to select a single most preferred object. To address these situations, we need a choice-model which allows an individual to express a set-valued choice. Choice functions provide such a mathematical framework. We propose a Gaussian Process model to learn choice functions from choice-data. The proposed model assumes a multiple utility representation of a choice function based on the concept of Pareto rationalization, and derives a strategy to learn both the number and the values of these latent multiple utilities. Simulation experiments demonstrate that the proposed model outperforms the state-of-the-art methods.